(3α,5β,7α)-3,7-Dihydroxy-12-oxocholan-24-oic Acid Methyl Ester (CAS 10538-64-4) — formula C25H40O5, molecular weight 420.6; category organic chemicals.
| CAS Number | 10538-64-4 |
|---|---|
| Molecular Formula | C25H40O5 |
| Molecular Weight | 420.6 |
| LogP | 3.6 |
| Category | Organic Chemicals |
(3α,5β,7α)-3,7-Dihydroxy-12-oxocholan-24-oic Acid Methyl Ester is a carbon-based organic compound with CAS registry number 10538-64-4 and molecular formula C25H40O5 (molecular weight 420.6), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 10538-64-4
Its molecular formula C25H40O5 comprises 25 C, 40 H, 5 O atoms.
Also known as: (3α,5β,7α)-3,7-Dihydroxy-12-oxocholan-24-oic Acid Methyl Ester · 别胆酸杂质14
Category: organic chemicals
The CAS registry number of (3α,5β,7α)-3,7-Dihydroxy-12-oxocholan-24-oic Acid Methyl Ester is 10538-64-4.
Molecular formula C25H40O5, molecular weight 420.6.
It is also registered under: (3α,5β,7α)-3,7-Dihydroxy-12-oxocholan-24-oic Acid Methyl Ester, 别胆酸杂质14.
Category: Organic Chemicals.
Independent reference data for (3α,5β,7α)-3,7-Dihydroxy-12-oxocholan-24-oic Acid Methyl Ester (CAS 10538-64-4), compiled from public chemistry databases.
| 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.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 别胆酸杂质14