别胆酸杂质14(CAS 10538-64-4):分子式 C25H40O5、分子量 420.6。
| CAS号 | 10538-64-4 |
|---|---|
| 分子式 | C25H40O5 |
| 分子量 | 420.6 |
| LogP | 3.6 |
别胆酸杂质14 是一种化工化合物,登记 CAS 号为 10538-64-4,分子式 C25H40O5(分子量 420.6)。
登记 CAS 号:10538-64-4
其分子式 C25H40O5 由 25 个碳、40 个氢、5 个氧 组成。
别名/同义词:别胆酸杂质14 · (3α,5β,7α)-3,7-Dihydroxy-12-oxocholan-24-oic Acid Methyl Ester
别胆酸杂质14 的 CAS 登记号为 10538-64-4。
分子式 C25H40O5,分子量 420.6。
别名/同义词:别胆酸杂质14、(3α,5β,7α)-3,7-Dihydroxy-12-oxocholan-24-oic Acid Methyl Ester。
别胆酸杂质14(CAS 10538-64-4)的独立参考数据,整理自公开化学数据库。
| CAS 号 | 10538-64-4 |
|---|---|
| PubChem CID | 11877504 |
| 分子式 | C25H40O5 |
| IUPAC 名称 | methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate |
| UNII(FDA) | G56Y0X0CEC |
| Molecular Weight | 420.6 |
|---|---|
| XLogP3 | 3.6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 420.28757437 |
| Monoisotopic Mass | 420.28757437 |
| Topological Polar Surface Area | 83.8 |
| Heavy Atom Count | 30 |
10538-64-4; 12-Ketochenodeoxycholic acid methyl ester; UNII-G56Y0X0CEC; G56Y0X0CEC; Methyl 3alpha,7alpha-dihydroxy-12-oxo-5beta-Cholan-24-oate; 5beta-Cholan-24-oic acid, 3alpha,7alpha-dihydroxy-12-oxo-, methyl ester; (3a,5b,7a)-3,7-Dihydroxy-12-oxocholan-24-oic Acid Methyl Ester; (3a,?5b,?7a)?-3,?7-?Dihydroxy-?12-?oxocholan-?24-?oic Acid Methyl Ester; Allocholic Acid Impurity 2; SCHEMBL10385700; DTXSID40909482; (3alpha,5beta,7alpha)-3,7-Dihydroxy-12-oxocholan-24-oic Acid Methyl Ester; 5.beta.-Cholan-24-oic acid, 3.alpha.,7.alpha.-dihydroxy-12-oxo-, methyl ester; Cholan-24-oic acid, 3,7-dihydroxy-12-oxo-, methyl ester, (3.alpha.,5.beta.,7.alpha.)-; 12-MONOKETOCHOLIC ACID METHYL ESTER; Methyl 3,7-dihydroxy-12-oxocholan-24-oate
别胆酸杂质14 · CAS 10538-64-4 · C25H40O5. UNII G56Y0X0CEC.
数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。
English page: (3α,5β,7α)-3,7-Dihydroxy-12-oxocholan-24-oic Acid Methyl Ester