Testosterone glucuronide
(2S,3S,4S,5R,6R)-6-[[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Testosterone glucuronide|Testosterone glucuronate|Epitestosterone glucuronide|testosterone glucuronoside|testosterone-glucuronide|Testosterone 17-glucosiduronate|Epitestosteroneglucuronide|Testosterone glucosiduronide|Testosterone glucuronic acid|Testosterone 17-glucuronide|Testosterone b-D-glucuronide|testosterone 17-glucosiduronic acid|Testosterone glucopyranuronoside|Testosterone 17b-(b-D-glucuronide)|KST-1A6180|Testosterone 17beta-(beta-D-glucuronide)|(alpha)-isomer of testosterone glucuronate|CS-I-00108|b-D-Androstane glucopyranosiduronic acid|17beta-hydroxyandrost-4-en-3-one 3-D-glucuronide|SID:135653755|(2S,3S,4S,5R,6R)-6-[[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid|3-oxoandrost-4-en-17beta-yl beta-D-glucopyranosiduronic acid|(17|A)-3-oxoandrost-4-en-17-yl|A-d-glucopyranosiduronic acid|3-Oxoandrosta-4-ene-17beta-yl beta-D-glucuronide
| Molecular Formula | C25H36O8 |
|---|---|
| Molecular Weight | 464.24103 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 133.52 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 464.24103 |
| Heavy Atoms | 33 |
| Complexity | 855.3 |
Chemical Identifiers
| CAS Number | 1180-25-2 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)CCC5=CC(=O)CC[C@]35C |
Product Overview
Testosterone glucuronide (CAS 1180-25-2), with molecular formula C25H36O8 and molecular weight 464.24103 g/mol. IUPAC: (2S,3S,4S,5R,6R)-6-[[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.
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