9-Octadecenoic acid1,2,3-propanetrieyl ester

9-Octadecenoic acid1,2,3-propanetrieyl ester
Compound Structure:
Synonyms: Trielaidin;537-39-3;Glyceryl trielaidate;Trielaidoylglycerol;Glycerol trielaidate;1,2,3-Tri(trans-9-octadecenoyl) Glycerol;2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl (E)-octadec-9-enoate;352S6U20HL
Compound ID: NMPC-535
PubChem ID:

5364673
Molecular Formula: C57H104O6
Canonical SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC
InChIKey: PHYFQTYBJUILEZ-WUOFIQDXSA-N
About the compound:

Trielaidin is a triglyceride formed by esterification of the three hydroxy groups of glycerol with elaidic acid. It is functionally related to an elaidic acid.

Reference 

https://www.chemspider.com/Chemical-Structure.4516818.html
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

885.4 g/mol

XLogP3-AA

22.4

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

6

Rotatable Bond Count

53

Exact Mass

884.78329103 g/mol

Monoisotopic Mass

884.78329103 g/mol

Topological Polar Surface Area

78.9Ų

Heavy Atom Count

63

Formal Charge

0

Complexity

1010

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

3

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem
Source Species: Moringa oleifera
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