Pregnane-3,17-diol-11,20-dione

(8S,9S,10S,13S,14S,17R)-17-acetyl-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: 3,17-Dihydroxypregnane-11,20-dione|Pregnane-3,17-diol-11,20-dione|Pregnane-11,20-dione, 3,17-dihydroxy-|3,17-Dihydroxypregnane-11,20-dione #|5beta-Pregnane-3alpha,17alpha-diol-11,20-dione|Pregnane-11,20-dione,3,17-dihydroxy- (9CI)|3ALPHA, 17ALPHA-DIHYDROXYPREGNANE-11,20-DIONE|(3alpha,5beta)-3,17-Dihydroxypregnane-11,20-dione|5 beta-pregnane-3 alpha,17 alpha-diol-11,20-dione|(3 alpha,5 beta)-3,17-dihydroxypregnane-11,20-dione|1-(4-methylsulfanylphenoxy)-2-nitro-4-(trifluoromethyl)benzene|(1R,3aS,3bS,9aS,9bS,11aS)-1-acetyl-1,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-10-one|(1S,2S,10S,11S,14R,15S)-14-acetyl-5,14-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-17-one|(8S,9S,10S,13S,14S,17R)-17-acetyl-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

Molecular Formula	C21H32O4
Molecular Weight	348.23007 g/mol
LogP	2.3
Topological Polar Surface Area	74.6 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	1
Exact Mass	348.23007
Monoisotopic Mass	348.23007
Heavy Atoms	25
Complexity	615.0

Chemical Identifiers

CAS Number	6344-73-6
SMILES	CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CCC4[C@@]3(CCC(C4)O)C)C)O
InChIKey	AYEXSTRNLGYBSQ-WKIOYHTKSA-N