Chemical Component Summary

NameCHOLESTERYL OLEATE
Synonyms(3BETA,9BETA,14BETA,17ALPHA)-CHOLEST-5-EN-3-YL (9Z)-OCTADEC-9-ENOATE
Identifiers[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (Z)-octadec-9-enoate
FormulaC45 H78 O2
Molecular Weight651.1
TypeNON-POLYMER
Isomeric SMILESCCCCCCCC\C=C/CCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C
InChIInChI=1S/C45H78O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h14-15,26,35-36,38-42H,7-13,16-25,27-34H2,1-6H3/b15-14-/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1
InChIKeyRJECHNNFRHZQKU-RMUVNZEASA-N

Chemical Details

Formal Charge0
Atom Count125
Chiral Atom Count8
Bond Count128
Aromatic Bond Count0

Related Resource References

Resource NameReference
PubChem 5283632
ChEMBL CHEMBL1097567
ChEBI CHEBI:46898