3-alpha,20-alpha-Dihydroxy-5-beta-pregnane 3-glucuronide

3,4,5-trihydroxy-6-[[17-(1-hydroxyethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylic acid

Also Known As: Pregnanediol-3-glucuronide|Pregnanediol 3-Glucuronide|Pregnanediol-3alpha-glucuronide|pregnanediol-3 alpha-glucuronide|Pregnanediol 3a-O-b-D-glucuronide|NCGC00485278-01|5|A-Pregnane-3|A,20|A-diol glucuronide|5beta-Pregnane-3alpha,20alpha-diol glucuronide|3-alpha,20-alpha-dihydroxy-5-beta-pregnane 3-glucuronide|3|A,20|A-Dihydroxy-5|A-pregnane 3-glucuronide|3alpha,20alpha-Dihydroxy-5beta-pregnane 3-glucuronide|5beta-Pregnane-3alpha,20alpha-diol-3alpha-glucuronide|20alpha-Hydroxy-5beta-pregnan-3alpha-yl-beta-D-glucopyranosiduronic acid|3,4,5-trihydroxy-6-[[17-(1-hydroxyethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylic acid|(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(3R,5R,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylic acid|3,4,5-trihydroxy-6-{[14-(1-hydroxyethyl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-yl]oxy}oxane-2-carboxylic acid

Molecular Formula	C27H44O8
Molecular Weight	496.30362 g/mol
LogP	2.3035
Topological Polar Surface Area	136.68 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	7
Rotatable Bonds	4
Exact Mass	496.30362
Monoisotopic Mass	496.30362
Heavy Atoms	35
Complexity	804.0508

Chemical Identifiers

CAS Number	1852-49-9
SMILES	CC(C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OC5C(C(C(C(O5)C(=O)O)O)O)O)C)C)O