Epi androsterone-beta-glucuronide

6-[(10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Also Known As: Androsterone glucuronide|Etiocholanolone glucuronide|Epiandrosterone Glucuronide|Epi androsterone-beta-glucuronide|Etiocholan-3|A-ol-17-one glucuronide|Etiocholan-3alpha-ol-17-one glucuronide|17-Oxoandrostan-3-yl hexopyranosiduronic acid|5|A-Androstan-3|A-ol-17-one 3-glucuronide|5|A-Androstan-3|A-ol-17-one glucosiduronate|3|A-Hydroxy-5|A-androstan-17-one 3-glucuronide|6-[(10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid|5|A-Androsterone |A-D-Glucuronide; 3alpha-hydroxy-5beta-androstan-17-one 3-glucosiduronic acid; 3ALPHA-HYDROXY-5BETA-ANDROSTAN-17-ONE 3-GLUCURONIDE;

Molecular Formula	C25H38O8
Molecular Weight	466.25668 g/mol
LogP	2.3
Topological Polar Surface Area	134.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	8
Rotatable Bonds	3
Exact Mass	466.25668
Monoisotopic Mass	466.25668
Heavy Atoms	33
Complexity	801.0

Chemical Identifiers

CAS Number	3617-01-4
SMILES	CC12CCC(CC1CCC3C2CCC4(C3CCC4=O)C)OC5C(C(C(C(O5)C(=O)O)O)O)O
InChIKey	VFUIRAVTUVCQTF-UHFFFAOYSA-N