Estrone 3-glucuronide
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylic acid
Also Known As: Estrone 3-glucuronide|Estrone glucuronide|Estrone-3-glucuronide|Estrone-3-glucosiduronate|Estrone Impurity 7|ESTRONE BETA-D-GLUCURONIDE|Estron 3-glucuronide|Estrone Impurity 11|Estrone O3-glucuronide|Estrone ?-D-Glucuronide|estrone 3-glucosiduronic acid|Estrone-3-glucosiduronic acid|Estrone beta-delta-glucuronide|Estrone 3-O-beta-D-glucuronide|Estrone 3-(beta-D-glucuronide)|Estrone-3-(beta-D-glucuronide)|ESTRONE MONOGLUCOSIDURONATE|ESTRONE .BETA.-GLUCURONIDE|estrone 3-O-(|A-D-glucuronide)|estrone 3-O-(beta-D-glucuronide)|ESTRONE .BETA.-D-GLUCURONIDE|SID:135653619|Estrone-3-Glucuronide (Estrone beta-D-Glucuronide)
| Molecular Formula | C24H30O8 |
|---|---|
| Molecular Weight | 446.19406 g/mol |
| LogP | 1.38 |
| Topological Polar Surface Area | 133.52 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 446.19406 |
| Heavy Atoms | 32 |
| Complexity | 930.6 |
Chemical Identifiers
| CAS Number | 2479-90-5 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O |
Product Overview
Estrone 3-glucuronide (CAS 2479-90-5), with molecular formula C24H30O8 and molecular weight 446.19406 g/mol. IUPAC: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylic acid.
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