Basic information
- CAS
17608-41-2- Standard SMILES
CC(C)CCCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C- InChIKey
QYIXCDOBOSTCEI-UHFFFAOYSA-N- Molecular formula
- C27H48O
- Average molar mass
- 388.7 g/mol
Overview
10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol is a cholestanoid.
Names & identifiers
- Preferred name
- Cholestanol
- IUPAC
- 10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
Names & synonyms
Dihydrocholesterol5beta-Cholestan-3alpha-ol.beta.-CholestanolCHOLESTANOL5.alpha.-Cholestanol5,6-Dihydrocholesterol3.beta.-Hydroxycholestane5.alpha.-Dihydrocholesterol5.alpha.-Cholestan-3.beta.-olC27H48O3.beta.-Hydroxy-5.alpha.-cholestaneNSC-18188
Show more names
5alpha-Cholestan-3 beta-olCholestan-3-ol,5.alpha.)-SCHEMBL2608072CHEBI:143724NSC18188NSC115568s5123AKOS026750629
Database identifiers
- CAS
17608-41-2、80-97-7- PubChem CID
- 3240
- ChEBI
CHEBI:143724
Properties
Computed structural properties
- XLogP
- 9.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 540
Related reactions
2 records
Compound notes
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