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Chemical structure of 1,2-Di-13(Z)-Docosenoyl-3-Oleoyl-rac-glycerol

GC41783

1,2-Di-13(Z)-Docosenoyl-3-Oleoyl-rac-glycerol

Also known as [2-[(Z)-docos-13-enoyl]oxy-3-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-docos-13-enoate

1,2-Di-13(Z)-docosenoyl-3-oleoyl-rac-glycerol is a triacylglycerol that contains 13(Z)-docosenoic acid at the sn-1 and sn-2 positions and oleic acid at the sn-3 position

ChemicalCAS60003-02-3MW997.6FormulaC65H120O6
CAS number
60003-02-3
Molecular weight
997.6
Formula
C65H120O6
Solubility
DMF： 10 mg/ml,Ethanol： 10 mg/ml,Ethanol：PBS(pH 7·2) (1：1)： 0·5 mg/ml
InChIKey
GZZYBPSYMRMTJW-OBVJRCHMSA-N
Catalogue number
GC41783
Brand
GLPBIO
Computed properties PubChem CID 9545813 · XLogP 26.7 · TPSA 78.9 Ų · H-bond donors 0
XLogP
26.7
TPSA
78.9 Ų
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
61
Heavy atoms
71

SMILES CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC

Computed descriptors from PubChem (CID 9545813), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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