NMP 601-Ascorbic acid, 2,6-dihexadecanoate (54722209)
  -OEChem-12012306242D

114114  0     1  0  0  0  0  0999 V2000
    5.4022    3.3142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4484   -1.5337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3452    0.2264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6702    2.3142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1342    3.3142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496   -2.5518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7761    0.5354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6240   -1.5337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8663    9.3142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7323    9.8142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7242   -8.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1309   -9.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8663    8.3142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7323   10.8142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3120   -7.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5431  -10.1465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0003    7.8142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5984   11.3142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9052   -6.7014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9499  -11.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0003    6.8142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5984   12.3142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4930   -5.8924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3621  -11.8691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1342    6.3142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4644   12.8142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7688  -12.7826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0863   -4.9788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1342    5.3142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4644   13.8142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1810  -13.5916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6741   -4.1698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2682    4.8142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3304   14.3142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878  -14.5052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2673   -3.2562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5362    0.8142    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5362    1.8142    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.3304   15.3142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000  -15.3142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2682    3.8142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8551   -2.4472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4022    2.3142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7272    0.2264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0362   -0.7247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0362   -0.7247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6542    9.8968    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2557    9.2065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9444    9.2316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3429    9.9218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2935   -7.9779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2102   -8.7706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5616   -9.7835    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6449   -8.9908    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0784    7.7316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4769    8.4218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5203   11.3968    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1218   10.7065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7427   -8.0609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8260   -7.2682    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1125   -9.7005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0291  -10.4932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7882    8.3968    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3897    7.7065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8104   10.7316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2089   11.4218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4746   -6.2554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3912   -7.0481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3806  -11.5060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4639  -10.7133    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2123    6.2316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6109    6.9218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3863   12.8968    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9878   12.2065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9237   -6.3383    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0070   -5.5456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9314  -11.4231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8481  -12.2158    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9222    6.8968    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5237    6.2065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6764   12.2316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0750   12.9218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1995  -13.2286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2828  -12.4359    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6556   -4.5328    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5723   -5.3255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3463    4.7316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7448    5.4218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2523   14.3968    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8538   13.7065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7504  -13.1456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6670  -13.9383    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1048   -4.6158    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1881   -3.8231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0562    5.3968    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6576    4.7065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5425   13.7316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9410   14.4218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0185  -14.9512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1018  -14.1585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8366   -2.8102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7533   -3.6029    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2935    1.2001    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5362    2.4342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9504   15.3142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3304   15.9342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7104   15.3142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4984  -14.9498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6356  -15.8158    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5016  -15.6786    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6142    1.7316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0128    2.4218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6702    2.9342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3154    0.1206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 41  1  0  0  0  0
  1 43  1  0  0  0  0
  2 42  1  0  0  0  0
  2 45  1  0  0  0  0
  3 37  1  0  0  0  0
  3 46  1  0  0  0  0
 38  4  1  1  0  0  0
  4113  1  0  0  0  0
  5 41  2  0  0  0  0
  6 42  2  0  0  0  0
  7 44  1  0  0  0  0
  7114  1  0  0  0  0
  8 46  2  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 47  1  0  0  0  0
  9 48  1  0  0  0  0
 10 14  1  0  0  0  0
 10 49  1  0  0  0  0
 10 50  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 11 51  1  0  0  0  0
 11 52  1  0  0  0  0
 12 16  1  0  0  0  0
 12 53  1  0  0  0  0
 12 54  1  0  0  0  0
 13 17  1  0  0  0  0
 13 55  1  0  0  0  0
 13 56  1  0  0  0  0
 14 18  1  0  0  0  0
 14 57  1  0  0  0  0
 14 58  1  0  0  0  0
 15 19  1  0  0  0  0
 15 59  1  0  0  0  0
 15 60  1  0  0  0  0
 16 20  1  0  0  0  0
 16 61  1  0  0  0  0
 16 62  1  0  0  0  0
 17 21  1  0  0  0  0
 17 63  1  0  0  0  0
 17 64  1  0  0  0  0
 18 22  1  0  0  0  0
 18 65  1  0  0  0  0
 18 66  1  0  0  0  0
 19 23  1  0  0  0  0
 19 67  1  0  0  0  0
 19 68  1  0  0  0  0
 20 24  1  0  0  0  0
 20 69  1  0  0  0  0
 20 70  1  0  0  0  0
 21 25  1  0  0  0  0
 21 71  1  0  0  0  0
 21 72  1  0  0  0  0
 22 26  1  0  0  0  0
 22 73  1  0  0  0  0
 22 74  1  0  0  0  0
 23 28  1  0  0  0  0
 23 75  1  0  0  0  0
 23 76  1  0  0  0  0
 24 27  1  0  0  0  0
 24 77  1  0  0  0  0
 24 78  1  0  0  0  0
 25 29  1  0  0  0  0
 25 79  1  0  0  0  0
 25 80  1  0  0  0  0
 26 30  1  0  0  0  0
 26 81  1  0  0  0  0
 26 82  1  0  0  0  0
 27 31  1  0  0  0  0
 27 83  1  0  0  0  0
 27 84  1  0  0  0  0
 28 32  1  0  0  0  0
 28 85  1  0  0  0  0
 28 86  1  0  0  0  0
 29 33  1  0  0  0  0
 29 87  1  0  0  0  0
 29 88  1  0  0  0  0
 30 34  1  0  0  0  0
 30 89  1  0  0  0  0
 30 90  1  0  0  0  0
 31 35  1  0  0  0  0
 31 91  1  0  0  0  0
 31 92  1  0  0  0  0
 32 36  1  0  0  0  0
 32 93  1  0  0  0  0
 32 94  1  0  0  0  0
 33 41  1  0  0  0  0
 33 95  1  0  0  0  0
 33 96  1  0  0  0  0
 34 39  1  0  0  0  0
 34 97  1  0  0  0  0
 34 98  1  0  0  0  0
 35 40  1  0  0  0  0
 35 99  1  0  0  0  0
 35100  1  0  0  0  0
 36 42  1  0  0  0  0
 36101  1  0  0  0  0
 36102  1  0  0  0  0
 37 38  1  0  0  0  0
 37 44  1  0  0  0  0
 37103  1  6  0  0  0
 38 43  1  0  0  0  0
 38104  1  0  0  0  0
 39105  1  0  0  0  0
 39106  1  0  0  0  0
 39107  1  0  0  0  0
 40108  1  0  0  0  0
 40109  1  0  0  0  0
 40110  1  0  0  0  0
 43111  1  0  0  0  0
 43112  1  0  0  0  0
 44 45  2  0  0  0  0
 45 46  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
54722209

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
824

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
34

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB8PAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAICCAAABgCIAADQCAIACAAgIAAACAFAAEgBFBIAIAQCUAAFwAALIQPIyKCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[(2S)-2-[(2R)-4-hexadecanoyloxy-3-hydroxy-5-oxo-2H-furan-2-yl]-2-hydroxy-ethyl] hexadecanoate

> <PUBCHEM_IUPAC_CAS_NAME>
hexadecanoic acid [(2S)-2-hydroxy-2-[(2R)-3-hydroxy-5-oxo-4-(1-oxohexadecoxy)-2H-furan-2-yl]ethyl] ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
[(2<I>S</I>)-2-[(2<I>R</I>)-4-hexadecanoyloxy-3-hydroxy-5-oxo-2<I>H</I>-furan-2-yl]-2-hydroxyethyl] hexadecanoate

> <PUBCHEM_IUPAC_NAME>
[(2S)-2-[(2R)-4-hexadecanoyloxy-3-hydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] hexadecanoate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[(2S)-2-[(2R)-4-hexadecanoyloxy-3-oxidanyl-5-oxidanylidene-2H-furan-2-yl]-2-oxidanyl-ethyl] hexadecanoate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
palmitic acid [(2S)-2-[(2R)-4-hexadecanoyloxy-3-hydroxy-5-keto-2H-furan-2-yl]-2-hydroxy-ethyl] ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C38H68O8/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(40)44-31-32(39)36-35(42)37(38(43)46-36)45-34(41)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32,36,39,42H,3-31H2,1-2H3/t32-,36+/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
TUYRNAGGIJZRNM-LBHUVFDKSA-N

> <PUBCHEM_XLOGP3_AA>
14.1

> <PUBCHEM_EXACT_MASS>
652.49141912

> <PUBCHEM_MOLECULAR_FORMULA>
C38H68O8

> <PUBCHEM_MOLECULAR_WEIGHT>
652.9

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCCCCCCCCC(=O)OCC(C1C(=C(C(=O)O1)OC(=O)CCCCCCCCCCCCCCC)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCCCCCCCCC(=O)OC[C@@H]([C@@H]1C(=C(C(=O)O1)OC(=O)CCCCCCCCCCCCCCC)O)O

> <PUBCHEM_CACTVS_TPSA>
119

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
652.49141912

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
46

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
2

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
37  103  6
38  4  5

$$$$
