NMPC 131-1-Triacontanol (68972)
 OpenBabel01112401323D

 93 92  0  0  0  0  0  0  0  0999 V2000
    0.6561   -0.3426   -0.0016 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6787    7.3742   -7.9008 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1973    6.8117   -9.2269 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1476    7.3686   -7.8793 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7010    7.6596  -10.3986 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6135    5.9412   -8.0307 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2026    9.1036  -10.2687 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0987    5.0530   -6.8801 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7337    9.1447  -10.2614 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6083    5.6036   -5.5359 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2964    8.5697  -11.5632 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0798    5.6340   -5.4910 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8224    9.3844  -12.7705 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5001    4.2238   -5.6530 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2929   10.8376  -12.6754 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9782    3.2983   -4.5315 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8240   10.9203  -12.6484 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5439    3.8044   -3.1545 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4368   10.3468  -13.9278 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0179    3.8709   -3.0386 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9862   11.1116  -15.1752 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3718    2.4928   -3.2179 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3747   12.5921  -15.1145 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8404    1.4824   -2.1672 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8922   12.7960  -15.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4662    1.8936   -0.7408 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6262   12.2564  -16.2742 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9544    2.0073   -0.5211 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1756   12.8995  -17.5882 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1944    0.7198   -0.8249 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3908   14.4046  -17.5989 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0424    8.3899   -7.7201 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0990    6.7995   -7.0704 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2897    6.7562   -9.1980 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8916    5.7722   -9.3747 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7286    8.0004   -8.6679 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7933    7.8396   -6.9579 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0225    7.2067  -11.3418 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6105    7.6596  -10.4719 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9121    5.4959   -8.9847 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5221    5.9640   -8.0888 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7847    9.7104  -11.0766 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8217    9.5822   -9.3616 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1952    4.9815   -6.8649 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7739    4.0287   -7.0434 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0697   10.1737  -10.0962 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1486    8.5961   -9.4155 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9991    6.6055   -5.3418 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0228    5.0020   -4.7251 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3868    8.5350  -11.5069 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0089    7.5219  -11.6995 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6614    6.2934   -6.2631 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7558    6.0919   -4.5544 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1758    8.9099  -13.6906 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7328    9.3639  -12.8686 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7730    3.7919   -6.6214 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4074    4.2802   -5.6809 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8796   11.4096  -13.5079 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8882   11.3334  -11.7866 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0738    3.1901   -4.5459 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6170    2.2839   -4.7179 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1290   11.9578  -12.4966 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2367   10.3941  -11.7815 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9633    4.7958   -2.9491 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9748    3.1674   -2.3793 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5283   10.3519  -13.8418 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1832    9.2890  -14.0463 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5940    4.5656   -3.7674 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7497    4.3034   -2.0677 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3975   10.6347  -16.0652 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8962   11.0366  -15.3008 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5853    2.0955   -4.2156 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2816    2.6016   -3.1918 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9540   13.1118  -15.9819 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9099   13.0817  -14.2517 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9292    1.3490   -2.2227 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4321    0.4982   -2.4065 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1049   13.8581  -14.9057 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3008   12.3109  -14.1474 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9341    2.8510   -0.4843 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8948    1.1707   -0.0387 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7031   12.4198  -16.1406 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4990   11.1710  -16.3471 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5410    2.8243   -1.1208 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7905    2.2802    0.5309 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7363   12.4496  -18.4125 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1187   12.6786  -17.7835 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2885    0.4211   -1.8730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8694    0.8613   -0.6258 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4409   14.6426  -17.4045 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1111   14.8228  -18.5661 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7813   14.9058  -16.8374 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5718   -0.5363   -0.2522 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 30  1  0  0  0  0
  1 93  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 32  1  0  0  0  0
  2 33  1  0  0  0  0
  3  5  1  0  0  0  0
  3 34  1  0  0  0  0
  3 35  1  0  0  0  0
  4  6  1  0  0  0  0
  4 36  1  0  0  0  0
  4 37  1  0  0  0  0
  5  7  1  0  0  0  0
  5 38  1  0  0  0  0
  5 39  1  0  0  0  0
  6  8  1  0  0  0  0
  6 40  1  0  0  0  0
  6 41  1  0  0  0  0
  7  9  1  0  0  0  0
  7 42  1  0  0  0  0
  7 43  1  0  0  0  0
  8 10  1  0  0  0  0
  8 44  1  0  0  0  0
  8 45  1  0  0  0  0
  9 11  1  0  0  0  0
  9 46  1  0  0  0  0
  9 47  1  0  0  0  0
 10 12  1  0  0  0  0
 10 48  1  0  0  0  0
 10 49  1  0  0  0  0
 11 13  1  0  0  0  0
 11 50  1  0  0  0  0
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 12 14  1  0  0  0  0
 12 52  1  0  0  0  0
 12 53  1  0  0  0  0
 13 15  1  0  0  0  0
 13 54  1  0  0  0  0
 13 55  1  0  0  0  0
 14 16  1  0  0  0  0
 14 56  1  0  0  0  0
 14 57  1  0  0  0  0
 15 17  1  0  0  0  0
 15 58  1  0  0  0  0
 15 59  1  0  0  0  0
 16 18  1  0  0  0  0
 16 60  1  0  0  0  0
 16 61  1  0  0  0  0
 17 19  1  0  0  0  0
 17 62  1  0  0  0  0
 17 63  1  0  0  0  0
 18 20  1  0  0  0  0
 18 64  1  0  0  0  0
 18 65  1  0  0  0  0
 19 21  1  0  0  0  0
 19 66  1  0  0  0  0
 19 67  1  0  0  0  0
 20 22  1  0  0  0  0
 20 68  1  0  0  0  0
 20 69  1  0  0  0  0
 21 23  1  0  0  0  0
 21 70  1  0  0  0  0
 21 71  1  0  0  0  0
 22 24  1  0  0  0  0
 22 72  1  0  0  0  0
 22 73  1  0  0  0  0
 23 25  1  0  0  0  0
 23 74  1  0  0  0  0
 23 75  1  0  0  0  0
 24 26  1  0  0  0  0
 24 76  1  0  0  0  0
 24 77  1  0  0  0  0
 25 27  1  0  0  0  0
 25 78  1  0  0  0  0
 25 79  1  0  0  0  0
 26 28  1  0  0  0  0
 26 80  1  0  0  0  0
 26 81  1  0  0  0  0
 27 29  1  0  0  0  0
 27 82  1  0  0  0  0
 27 83  1  0  0  0  0
 28 30  1  0  0  0  0
 28 84  1  0  0  0  0
 28 85  1  0  0  0  0
 29 31  1  0  0  0  0
 29 86  1  0  0  0  0
 29 87  1  0  0  0  0
 30 88  1  0  0  0  0
 30 89  1  0  0  0  0
 31 90  1  0  0  0  0
 31 91  1  0  0  0  0
 31 92  1  0  0  0  0
M  END
>  <MOL Chiral Flag>
0

>  <PUBCHEM_COMPOUND_CID>
68972

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
288

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
1

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
28

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4IAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACACggAICAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAEAIAAAAAQAAEAAAAAAGAwKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
triacontan-1-ol

>  <PUBCHEM_IUPAC_CAS_NAME>
1-triacontanol

>  <PUBCHEM_IUPAC_NAME_MARKUP>
triacontan-1-ol

>  <PUBCHEM_IUPAC_NAME>
triacontan-1-ol

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
triacontan-1-ol

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
triacontan-1-ol

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C30H62O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31/h31H,2-30H2,1H3

>  <PUBCHEM_IUPAC_INCHIKEY>
REZQBEBOWJAQKS-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3>
14.9

>  <PUBCHEM_EXACT_MASS>
438.480066597

>  <PUBCHEM_MOLECULAR_FORMULA>
C30H62O

>  <PUBCHEM_MOLECULAR_WEIGHT>
438.8

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO

>  <PUBCHEM_CACTVS_TPSA>
20.2

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
438.480066597

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
31

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <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

$$$$
