Dehydroepiandrosterone 3-Glucuronide

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

Also Known As: Dehydroepiandrosterone 3-glucuronide|DHEA-G|Dehydroisoandrosterone 3-glucuronide|Dehydroepiandrosterone Glucuronide|Dehydroepiandrosterone 3-glucuronoside|Dehydroepiandrosterone3-glucuronide|Dehydroepiandrosterone 3?-Glucuronide|Dehydroepiandrosterone glucopyranuronoside|CS-I-00073|dehydroepiandrosterone 3-beta-d-glucuronide|Dehydroepiandrosterone 3-beta-glucuronide|dehydroisoandrosterone glucopyranuronoside|3-(glucuronide)-(3-beta)-androst-5-en-17-one|Dehydroisoandrosterone 3-glucuronidecrys talline|3BETA-HYDROXY-5-ANDROSTEN-17-ONE 3-GLUCURONIDE|Androst-5-en-17-one, 3-(glucuronide)-, (3.beta.)-|3beta-(beta-D-Glucopyranuronosyloxy)androsta-5-ene-17-one|(2S,3S,4S,5R,6R)-6-[[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid|17-Oxoandrost-5-en-3beta-yl beta-D-glucopyranosiduronic acid|(3beta)-17-oxoandrost-5-en-3-yl beta-D-glucopyranosiduronic acid|(2s,3s,4s,5r,6r)-6-[[(3s,8r,9s,10r,13s,14s)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid|(2S,3S,4S,5R,6R)-6-(((3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta(a)phenanthren-3-yl)oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid|(2S,3S,4S,5R,6R)-6-{[(3aS,3bR,7S,9aR,9bS,11aS)-9a,11a-dimethyl-1-oxo-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid|(3S,4S,5R,6R)-6-((10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta(a)phenanthren-3-yl)oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid|(3S,4S,5R,6R)-6-((2,15-dimethyl-14-oxotetracyclo(8.7.0.0^(2,7).0^(11,15))heptadec-7-en-5-yl)oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid|(3S,4S,5R,6R)-6-({2,15-dimethyl-14-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid|(3S,4S,5R,6R)-6-[(10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid|na

Molecular Formula	C25H36O8
Molecular Weight	464.24103 g/mol
LogP	1.9
Topological Polar Surface Area	134.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	8
Rotatable Bonds	3
Exact Mass	464.24103
Monoisotopic Mass	464.24103
Heavy Atoms	33
Complexity	855.0

Chemical Identifiers

CAS Number	3331-64-4
SMILES	C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C
InChIKey	GLONBVCUAVPJFV-PCDHEYSGSA-N