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Chemical structure of 1,3-Linolein-2-olein

GC41842

1,3-Linolein-2-olein

Also listed as 1,3-Dilinoleoyl-2-Oleoyl-rac-glycerol

1,3-Dilinoleoyl-2-Oleoyl-rac-glycerol, a triglyceride, is an antileishmanial drug

ChemicalCAS2190-22-9MW881.4FormulaC57H100O6
CAS number
2190-22-9
Molecular weight
881.4
Formula
C57H100O6
Solubility
DMF： 10 mg/ml,Ethanol： 10 mg/ml,Ethanol：PBS (pH 7·2) (1：1)： 0·5 mg/ml
InChIKey
UDQCIYKUZOQISE-GGDOOUPISA-N
Catalogue number
GC41842
Brand
GLPBIO
Computed properties PubChem CID 11007443 · XLogP 21 · TPSA 78.9 Ų · H-bond donors 0
XLogP
21
TPSA
78.9 Ų
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
51
Heavy atoms
63

SMILES CCCCCCCC/C=C\CCCCCCCC(=O)OC(COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC

Computed descriptors from PubChem (CID 11007443), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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