(24S)-5alpha-Cholestane-3beta,6alpha,8,15beta,24-pentol

Substructure search Find similar structures

Basic information

CAS: 99481-53-5
Standard SMILES: CC(C)[C@@H](O)CC[C@@H](C)[C@H]1C[C@@H](O)[C@H]2C3(O)C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIKey: SOWQHVUKEGVMMG-CUMHJAGISA-N
Molecular formula: C27H48O5
Average molar mass: 452.7 g/mol
Monoisotopic mass: 452.35017463

Names & identifiers

Preferred name: (24S)-5alpha-Cholestane-3beta,6alpha,8,15beta,24-pentol
IUPAC: (3S,5S,6S,9R,10S,13R,14S,15R,17R)-17-[(2R,5S)-5-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,6,8,15-tetrol

Names & synonyms

99481-53-5cholestane-3,6,8,15,24-pentolDTXSID20912691(24S)-5alpha-Cholestane-3beta,6alpha,8,15beta,24-pentol(8xi,24S)-5alpha-Cholestane-3beta,6alpha,8,15beta,24-pentolCholestane-3,6,8,15,24-pentol, (3beta,5alpha,6alpha,15beta,24S)-

Database identifiers

CAS: 99481-53-5
PubChem CID: 188545
DTXSID: DTXSID20912691

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 101 Å²
Hydrogen bond donors: 5
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 32
Formal charge: 0
Complexity: 683

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…