Estriol-16alpha-(beta-D-glucuronide) 雌三醇16α-(β-D-葡萄糖醛酸)
CAS 1852-50-2 MFCD00056554
化学结构图
SMILES: C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@H](OC1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]2O
化学属性
| Mol. Formula | C24H32O9 |
|---|---|
| Mol. Weight | 464.51 |
| Melting Point | No Data Available |
| Boiling Point |
别名和识别编码
| Chemical Name | Estriol-16alpha-(beta-D-glucuronide) |
|---|---|
| Synonym | 1,3,5(10)-Estratriene-3,16α,17β-triol 16-glucuronide 3,16α,17β-Trihydroxy-1,3,5(10)-estratriene 16-glucuronide 1,3,5(10)-Estratriene-3,16α,17β-triol 16-glucuronide 3,16α,17β-Trihydroxy-1,3,5(10)-estratriene 16-glucuronide Estriol 16-O-beta-D-Glucuronide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { |
| MDL Number | MFCD00056554 |
| PubChem Substance ID | 122281 |
| Beilstein Registry Number | 67674 |
| CAS Number | 1852-50-2 |
| Chemical Name Translation | 雌三醇16α-(β-D-葡萄糖醛酸) |
| InChIKey | FQYGGFDZJFIDPU-JRSYHJKYSA-N |
| InChI | InChI=1S/C24H32O9/c1-24-7-6-13-12-5-3-11(25)8-10(12)2-4-14(13)15(24)9-16(21(24)29)32-23-19(28)17(26)18(27)20(33-23)22(30)31/h3,5,8,13-21,23,25-29H,2,4,6-7,9H2,1H3,(H,30,31)/t13-,14-,15+,16-,17+,18+,19-,20+,21+,23-,24+/m1/s1 |
| Canonical SMILES | [H][C@@]12CCC3=CC(O)=CC=C3[C@]1(CC[C@]4([C@@]2([H])C[C@H]([C@@H]4O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(O)=O)O)O)O)C)[H] |
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分类
- {SNA} Bioactive Small Molecule Alphabetical Index, Biochemicals and Reagents, Cytokines, Growth Factors and Hormones, E, Estrogen, Estrogens (C18) and Derivatives, Hormones, Lipids, Steroid Hormones, Sterol Lipids, 生物活性小分子, 细胞信号转导和神经科学, 细胞生物学
- {SNA} Bioactive Small Molecules, Biochemicals and Reagents, Cell Biology, Cell Signaling and Neuroscience, Cytokines, Growth Factors and Hormones, E, Estrogen, Estrogens (C18) and Derivatives, Hormones, Lipids, Steroid Hormones, Sterol Lipids
- {SNA} Bioactive Small Molecule Alphabetical Index,
相关文献及参考
- Beil. 18 ,IV,5126
安全信息
GHS Symbol
- P281 Use personal protective equipment as required. 使用所需的个人防护装备。
- H351 Suspected of causing cancer 怀疑致癌
- S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
- R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用
