[17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] octadec-9-enoate

HCID 78971
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Basic information

Standard SMILES
CCCCCCCCC=CCCCCCCCC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)CCCC(C)C)CCC32)C1
InChIKey
RJECHNNFRHZQKU-UHFFFAOYSA-N
Molecular formula
C45H78O2
Average molar mass
651.1 g/mol

Overview

See also: Cholesteryl Oleate (annotation moved to).

Names & identifiers

Preferred name
[17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] octadec-9-enoate
IUPAC
[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] octadec-9-enoate

Names & synonyms

5-Cholesten-3beta-ol 3-oleateC45H78O2Cholest-5-en-3-ol (3.beta.)-, (9Z)-9-octadecenoate3beta-Hydroxy-5-cholestene 3-oleate[17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] octadec-9-enoateDB-0448763|A-Hydroxy-5-cholestene 3-oleate,5-Cholesten-3|A-ol 3-oleate,Cholesteryl cis-9-octadecenoate,Oleic acid cholesteryl ester

Database identifiers

PubChem CID
78971

Properties

Computed structural properties

XLogP
16.6
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
22
Heavy atoms
47

Related reactions

1 records
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Compound notes

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