4-Methylcholest-8(14)-en-3-ol

HCID 43866

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Basic information

CAS: 62014-96-4
Standard SMILES: CC(C)CCCC(C)C1CCC2=C3CCC4C(C)C(O)CCC4(C)C3CCC21C
InChIKey: UIPYFONRKZTOIY-UHFFFAOYSA-N
Molecular formula: C28H48O
Average molar mass: 400.7 g/mol
Monoisotopic mass: 400.37051615

Overview

4-Methylcholest-8(14)-en-3-ol has been reported in Capsicum annuum with data available.

Names & identifiers

Preferred name: 4-Methylcholest-8(14)-en-3-ol
IUPAC: 4,10,13-trimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

Names & synonyms

4-Methylcholest-8(14)-en-3-olDTXSID809775494,10,13-trimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol4,10,13-trimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthren-3-olRefChem:294565DTXCID10140489662014-96-4(3beta,4alpha,5alpha)-4-Methyl-8(14)-cholesten-3-ol

Database identifiers

CAS: 62014-96-4
PubChem CID: 43866
DTXSID: DTXSID80977549

Properties

Computed structural properties

XLogP: 8.4
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 5
Heavy atoms: 29
Formal charge: 0
Complexity: 632

Chemistry & industry

Pharmacology

Cellular LocationsExtracellular

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