7alpha-Hydroxy-4-cholesten-3-one

(7R,8S,9S,10R,13R,14S,17R)-7-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: 7alpha-Hydroxy-4-cholesten-3-one|7alpha-Hydroxycholest-4-en-3-one|7 alpha-3ox-C|Cholest-4-en-7alpha-ol-3-one|7-hydroxy-4-cholesten-3-one|7a-hydroxy-cholestene-3-one|Cholesterol Impurity 36|A-Hydroxy-4-cholesten-3-one|7-Hydroxycholest-4-en-3-one|7a-Hydroxy-4-cholesten-3-one|BIDD:PXR0048|4-Cholesten-7-alpha-ol-3-one|7 alpha-hydroxy-4-cholesten-3-one|A-3ox-C|A-Hydroxycholest-4-en-3-one|4-cholesten-7alpha-ol-3-one|cholest-4-en-7 alpha-ol-3-one|Cholest-4-en-7|A-ol-3-one|7-alpha-hydroxy-4-cholesten-3-one|7-a-hydroxy-4-cholesten-3-one|7-a-hydroxycholest-4-en-3-one|7?-HYDROXY-4-CHOLESTEN-3-ONE|7-Hydroxy-4-cholesten-3-one-D7|7-alpha-hydroxycholest-4-en-3-one|7alpha-Hydroxy-4-cholesten-3-onel|7 alpha -Hydroxy-4-cholesten-3-one|(7|A)-7-Hydroxycholest-4-en-3-one

Molecular Formula	C27H44O2
Molecular Weight	400.33414 g/mol
LogP	7.3
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	663.0

Chemical Identifiers

CAS Number	4051-89-2
SMILES	C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](CC4=CC(=O)CC[C@]34C)O)C
InChIKey	IOIZWEJGGCZDOL-RQDYSCIWSA-N