5-BETA-CHOLANIC ACID-3-ALPHA-OL-7,12-DIONE METHYL ESTER (CAS 10538-66-6) — formula C25H38O5, molecular weight 418.6; category organic chemicals.
| CAS Number | 10538-66-6 |
|---|---|
| Molecular Formula | C25H38O5 |
| Molecular Weight | 418.6 |
| LogP | 3.3 |
| Category | Organic Chemicals |
5-BETA-CHOLANIC ACID-3-ALPHA-OL-7,12-DIONE METHYL ESTER is a carbon-based organic compound with CAS registry number 10538-66-6 and molecular formula C25H38O5 (molecular weight 418.6), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 10538-66-6
Its molecular formula C25H38O5 comprises 25 C, 38 H, 5 O atoms.
Also known as: 5-BETA-CHOLANIC ACID-3-ALPHA-OL-7,12-DIONE METHYL ESTER · 7,12二酮石胆酸甲酯
Category: organic chemicals
The CAS registry number of 5-BETA-CHOLANIC ACID-3-ALPHA-OL-7,12-DIONE METHYL ESTER is 10538-66-6.
Molecular formula C25H38O5, molecular weight 418.6.
It is also registered under: 5-BETA-CHOLANIC ACID-3-ALPHA-OL-7,12-DIONE METHYL ESTER, 7,12二酮石胆酸甲酯.
Category: Organic Chemicals.
Independent reference data for 5-BETA-CHOLANIC ACID-3-ALPHA-OL-7,12-DIONE METHYL ESTER (CAS 10538-66-6), compiled from public chemistry databases.
| CAS 号 | 10538-66-6 |
|---|---|
| PubChem CID | 90017230 |
| 分子式 | C25H38O5 |
| IUPAC 名称 | methyl (4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7,12-dioxo-2,3,4,5,6,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate |
| Molecular Weight | 418.6 |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 418.27192431 |
| Monoisotopic Mass | 418.27192431 |
| Topological Polar Surface Area | 80.7 |
| Heavy Atom Count | 30 |
10538-66-6; 7,12 Diketolithocholic acid methyl ester; Allocholic Acid Impurity 3; SCHEMBL15537933; CS-M3304; KAA53866; MFCD00271387; AKOS037650568; CS-14994
7,12二酮石胆酸甲酯 · CAS 10538-66-6 · C25H38O5.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 7,12二酮石胆酸甲酯