[(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] (Z)-octadec-9-enoate

Modify Date: 2024-12-04 19:07:01

[(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] (Z)-octadec-9-enoate Structure
[(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] (Z)-octadec-9-enoate structure
Common Name [(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] (Z)-octadec-9-enoate
CAS Number 2078-50-4 Molecular Weight 653.11500
Density N/A Boiling Point N/A
Molecular Formula C45H80O2 Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name [(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] (Z)-octadec-9-enoate
Synonym More Synonyms

 Chemical & Physical Properties

Molecular Formula C45H80O2
Molecular Weight 653.11500
Exact Mass 652.61600
PSA 26.30000
LogP 14.05700
InChIKey PRLUQOOFPFWUKQ-KKTNLPSRSA-N
SMILES CCCCCCCCC=CCCCCCCCC(=O)OC1CCC2(C)C(CCC3C2CCC2(C)C(C(C)CCCC(C)C)CCC32)C1

 Synonyms

UNII-787E5U93KV
Cholestanol oleate
Dihydrocholesteryl oleate
3-Cholestanyl oleate
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