7alpha-Hydroxy-4-cholesten-3-one 7α-hydroxy-4-cholesten-3-one
CAS 3862-25-7 MFCD00870345
化学结构图
SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CCC(=O)C=C1C[C@H]3O
化学属性
| Mol. Formula | C27 H44 O2 |
|---|---|
| Mol. Weight | 400.64 |
| Melting Point | 181-183°C |
| Boiling Point | |
| Flash Point | - |
别名和识别编码
| Chemical Name | 7alpha-Hydroxy-4-cholesten-3-one |
|---|---|
| CAS Number | 3862-25-7 |
| Synonym | (7?)- 7 alpha-hydroxy-4-cholesten-3-one 7-hydroxy-4-cholesten-3-one 7-羟基-4-胆甾烯-3-酮 7Alpha-Hydroxy-4-cholesten-3-one 7alpha-Hydroxy-4-cholesten-3-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} |
| Chemical Name Translation | 7α-hydroxy-4-cholesten-3-one |
| InChIKey | IOIZWEJGGCZDOL-RQDYSCIWSA-N |
| LabNetwork Molecule ID | LN01295472 |
| PubChem Substance ID | 123743 |
| InChI | InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h15,17-18,21-25,29H,6-14,16H2,1-5H3/t18-,21-,22+,23+,24-,25+,26+,27-/m1/s1 |
| Canonical SMILES | CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |
| MDL Number | - |
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分类
- Metabolites & Impurities
- Pharmaceuticals
- Intermediates & Fine Chemicals
- Steroids,
产品应用
- A metabolite of Cholesterol.
相关文献及参考
- [2]. Gälman C, et al. Bile acid synthesis in humans has a rapid diurnal variation that is asynchronous with cholesterol synthesis. Gastroenterology. 2005 Nov;129(5):1445-53.
- Connor, W., et al.: J, Clin. Invest., 48, 1363 (1969),
- [1]. Offei SD, et al. Chemical synthesis of 7α-hydroxycholest-4-en-3-one, a biomarker for irritable bowel syndrome and bile acid malabsorption. Steroids. 2019 Nov;151:108449.
- [1]. Offei SD, et al. Chemical synthesis of 7α-hydroxycholest-4-en-3-one, a biomarker for irritable bowel syndrome and bile acid malabsorption. Steroids. 2019 Nov;151:108449.
- [2]. Gälman C, et al. Bile acid synthesis in humans has a rapid diurnal variation that is asynchronous with cholesterol synthesis. Gastroenterology. 2005 Nov;129(5):1445-53.
