(3alpha,5beta,12alpha)-3,12-Dihydroxy-7-oxocholan-24-oic acid methyl ester (CAS 10538-65-5) — formula C25H40O5, molecular weight 420.6; category organic chemicals.
| CAS Number | 10538-65-5 |
|---|---|
| Molecular Formula | C25H40O5 |
| Molecular Weight | 420.6 |
| LogP | 3.6 |
| Category | Organic Chemicals |
(3alpha,5beta,12alpha)-3,12-Dihydroxy-7-oxocholan-24-oic acid methyl ester is a carbon-based organic compound with CAS registry number 10538-65-5 and molecular formula C25H40O5 (molecular weight 420.6), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 10538-65-5
Its molecular formula C25H40O5 comprises 25 C, 40 H, 5 O atoms.
Also known as: (3alpha,5beta,12alpha)-3,12-Dihydroxy-7-oxocholan-24-oic acid methyl ester · 胆酸杂质67
Category: organic chemicals
The CAS registry number of (3alpha,5beta,12alpha)-3,12-Dihydroxy-7-oxocholan-24-oic acid methyl ester is 10538-65-5.
Molecular formula C25H40O5, molecular weight 420.6.
It is also registered under: (3alpha,5beta,12alpha)-3,12-Dihydroxy-7-oxocholan-24-oic acid methyl ester, 胆酸杂质67.
Category: Organic Chemicals.
Independent reference data for (3alpha,5beta,12alpha)-3,12-Dihydroxy-7-oxocholan-24-oic acid methyl ester (CAS 10538-65-5), compiled from public chemistry databases.
| CAS 号 | 10538-65-5 |
|---|---|
| PubChem CID | 13990156 |
| 分子式 | C25H40O5 |
| IUPAC 名称 | methyl (4R)-4-[(3R,5S,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate |
| UNII（FDA） | YZO7HX16N0 |
| 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 |
10538-65-5; Methyl 7-ketocholate; Methyl-7-keto-3a,12a-dihydroxy-5b-cholanoate; (3alpha,5beta,12alpha)-3,12-Dihydroxy-7-oxocholan-24-oic acid methyl ester; YZO7HX16N0; Methyl 3alpha,12alpha-dihydroxy-7-oxo-5beta-Cholan-24-oate; UNII-YZO7HX16N0; MFCD00271376; SCHEMBL6556842; DTXSID00909483; 5beta-Cholan-24-oic acid, 3alpha,12alpha-dihydroxy-7-oxo-, methyl ester; AKOS016010031; DS-6095; FD145354; DB-222868; CS-0016036
胆酸杂质67 · CAS 10538-65-5 · C25H40O5. UNII YZO7HX16N0.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 胆酸杂质67