OLC

(2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate

Created:	2008-05-22
Last modified:	2021-03-01

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Chemical Details
Formal Charge	0
Atom Count	65
Chiral Atom Count	1
Bond Count	64
Aromatic Bond Count	0

2D diagram of OLC

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Chemical Component Summary
Name	(2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate
Synonyms	1-Oleoyl-R-glycerol
Systematic Name (OpenEye OEToolkits)	[(2R)-2,3-dihydroxypropyl] (Z)-octadec-9-enoate
Formula	C₂₁ H₄₀ O₄
Molecular Weight	356.54
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(OCC(O)CO)CCCCCCC\C=C/CCCCCCCC
SMILES	CACTVS	3.341	CCCCCCCCC=CCCCCCCCC(=O)OC[CH](O)CO
SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)O
Canonical SMILES	CACTVS	3.341	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](O)CO
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](CO)O
InChI	InChI	1.03	InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-/t20-/m1/s1
InChIKey	InChI	1.03	RZRNAYUHWVFMIP-GDCKJWNLSA-N

Related Resource References

Resource Name	Reference
PubChem	11451146
ChEBI	CHEBI:75938

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