Primary record
(2S,3S,4S,5R,6R)-6-{[(1R,2R,3aS,3bR,9bS,11aS)-1-hydroxy-11a-methyl-7-(sulfooxy)-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-2-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
- 库存
- 2,897 克
- 纯度
- 98.8 %
- CAS
- 4661-65-8
化合物标识与属性
- CAS
- 4661-65-8
- PubChem CID
- 44263369
- SMILES
- C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)CCC5=C3C=CC(=C5)OS(=O)(=O)O
- Canonical SMILES
- C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@H]3[C@@H]1C[C@@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]2O
名称与同义词
- RefChem:921186
- Estriol 3-sulfate 16-glucuronide
- DTXSID00963621
- Estriol 3-sulfate 16-glucuronoside
- LMST05010047
- Estriol 3-sulfate 16alpha-glucuronide
- J1.475.212I
- 4661-65-8
- (2S,3S,4S,5R)-3,4,5-trihydroxy-6-[[(8R,9S,13S,14S,16R,17R)-17-hydroxy-13-methyl-3-sulfooxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]oxy]oxane-2-carboxylic acid
- (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(((8R,9S,13S,14S,16R,17R)-17-hydroxy-13-methyl-3-sulfooxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta(a)phenanthren-16-yl)oxy)oxane-2-carboxylic acid
- (2S,3S,4S,5R,6R)-6-{[(1R,2R,3aS,3bR,9bS,11aS)-1-hydroxy-11a-methyl-7-(sulfooxy)-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-2-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
- 1-O-[3-(Sulfooxy)-17beta-hydroxyestra-1(10),2,4-triene-16alpha-yl]-beta-D-glucopyranuronic acid
- 17beta-Hydroxy-3-(sulfooxy)estra-1,3,5(10)-trien-16alpha-yl beta-D-glucopyranosiduronic acid