Estriol glucuronide
(2S,3S,4S,5R)-6-[[(8R,9S,13S,14S,16R,17R)-16,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Estriol glucuronide|Oestriol glucuronide|SID:135727682|(2S,3S,4S,5R)-6-[[(8R,9S,13S,14S,16R,17R)-16,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid|(2S,3S,4S,5R)-6-[[(8S,9S,13S,14S,16R,17R)-16,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxy-oxane-2-carboxylic acid|beta-D-Glucopyranuronic acid, monoglycoside with (16alpha,17beta)-estra-1,3,5(10)-triene-3,16,17-triol
| Molecular Formula | C24H32O9 |
|---|---|
| Molecular Weight | 464.20462 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 157.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 464.20462 |
| Monoisotopic Mass | 464.20462 |
| Heavy Atoms | 33 |
| Complexity | 747.0 |
Chemical Identifiers
| CAS Number | 28808-07-3 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)O)CCC4=C3C=CC(=C4)OC5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O |
| InChIKey | UZKIAJMSMKLBQE-SUPAOECSSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Estriol glucuronide (CAS 28808-07-3), with molecular formula C24H32O9 and molecular weight 464.20462 g/mol. IUPAC: (2S,3S,4S,5R)-6-[[(8R,9S,13S,14S,16R,17R)-16,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.
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