Cortolone

(3R,5R,8S,9S,10S,13S,14S,17R)-17-[(1S)-1,2-dihydroxyethyl]-3,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one

Also Known As: Cortolone|alpha-Cortolone|Cortolon|20alpha-Cortolone|a-Cortolone|.alpha.-Cortolone|A-Cortolone|20.alpha.-Cortolone|?-CORTOLONE|CORTOLONE [MI]|5a,17,20a,21-tetrol-11-one|(3R,5R,8S,9S,10S,13S,14S,17R)-17-[(1S)-1,2-dihydroxyethyl]-3,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one|5beta-Pregnane-3alpha,17,20alpha,21-tetrol-11-one|3alpha,17alpha,20alpha,21-Tetrahydroxy-5beta-pregnan-11-one|(20S)-3alpha,17,20,21-Tetrahydroxy-5beta-pregnan-11-one|3-alpha,17-alpha,20-alpha,21-pregnanetetrol-11-one|5.beta.-Pregnan-11-one,17,20.alpha.,21-tetrahydroxy-|5.beta.-Pregnane-3.alpha.,20.alpha.,21-tetrol-11-one|Pregnan-11-one, 3,17,20,21-tetrahydroxy-, (3alpha,5beta,20S)-|3.alpha.,20.alpha.,21-Tetrahydroxy-5.beta.-pregnan-11-one|5beta-11-oxo-pregnane-3alpha, 11beta ,17, 20S, 21-tetrol|5beta-11-oxo-pregnane-3alpha, 11beta,17, 20S, 21-tetrol|5beta-Pregnan-11-one, 3alpha,17,20alpha,21-tetrahydroxy-|(3-alpha,5-beta,20S)-3,17,20,21-Tetrahydroxypregnan-11-one

Molecular Formula	C21H34O5
Molecular Weight	366.24063 g/mol
LogP	1.8
Topological Polar Surface Area	98.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	5
Rotatable Bonds	2
Exact Mass	366.24063
Monoisotopic Mass	366.24063
Heavy Atoms	26
Complexity	593.0

Chemical Identifiers

CAS Number	77280-85-4
SMILES	C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4([C@H](CO)O)O)C)O
InChIKey	JXCOSKURGJMQSG-AZQJGLEESA-N