Estradiol-17beta-glucuronide

(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(13S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]oxane-2-carboxylic acid

Also Known As: 17beta-Estradiol glucuronide|Estradiol-17beta-glucuronide|Oestradiol-17beta-glucuronide|17-beta-estradiol glucuronide|E217G cpd|E(2)17G cpd|17 beta-estradiol glucuronide|estradiol-17 beta-glucuronide|17|A-Estradiol 17|A-D-Glucuronide|beta-Estradiol 17-beta-D-glucuronide|17beta-Estradiol 17beta-D-glucuronide|17beta-estradiol-17-(beta-D-glucuronide)|17.beta.-Estradiol 17-(.beta.-D-glucuronide)|(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(13S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]oxane-2-carboxylic acid|1,3,5(10)-Estratrien-3,17.beta.-diol 17-glucosiduronate|beta-D-Glucopyranosiduronic acid, (17beta)-3-hydroxyestra-1,3,5(10)-trien-17-yl|(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(14S,15S)-5-hydroxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-trien-14-yl]oxy}oxane-2-carboxylic acid|(17.beta.)-3-Hydroxyestra-1,3,5(10)-trien-17-yl .beta.-D-glucopyranosiduronic acid|beta-D-Glucopyranosiduronic acid, (17 beta)-3-hydroxyestra-1,3,5(10)-trien-17-yl

Molecular Formula	C24H32O8
Molecular Weight	448.20972 g/mol
LogP	1.53
Topological Polar Surface Area	136.68 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	7
Rotatable Bonds	3
Exact Mass	448.20972
Heavy Atoms	32
Complexity	888.8

Chemical Identifiers

CAS Number	1806-98-0
SMILES	C[C@]12CCC3C(C1CC[C@@H]2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)CCC5=C3C=CC(=C5)O