6-Hydroxycholest-4-en-3-one structure

6-Hydroxycholest-4-en-3-one

(8S,9S,10R,13R,14S,17R)-6-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

Also Known As: 6-Hydroxycholest-4-en-3-one|Cholest-4-en-3-one, 6-hydroxy-|6-hydroxy-4-cholesten-3-one|(1R,3aS,3bS,9aR,9bS,11aR)-5-hydroxy-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one|(8S,9S,10R,13R,14S,17R)-6-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

CAS: 69853-71-0
Molecular Formula C27H44O2
Molecular Weight 400.33414 g/mol
LogP 6.5677
Topological Polar Surface Area 37.3 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
Rotatable Bonds 5
Exact Mass 400.33414
Monoisotopic Mass 400.33414
Heavy Atoms 29
Complexity 663.449

Chemical Identifiers

CAS Number 69853-71-0
SMILES C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(C4=CC(=O)CC[C@]34C)O)C

Product Overview

6-Hydroxycholest-4-en-3-one (CAS 69853-71-0), with molecular formula C27H44O2 and molecular weight 400.33414 g/mol. IUPAC: (8S,9S,10R,13R,14S,17R)-6-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one.

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