3-ALPHA-HYDROXY-5-BETA-CHOLAN-24-OIC ACID METHYL ESTER (CAS 1249-75-8) — formula C25H42O3, molecular weight 390.6; category organic chemicals.
| CAS Number | 1249-75-8 |
|---|---|
| Molecular Formula | C25H42O3 |
| Molecular Weight | 390.6 |
| LogP | 6.6 |
| Category | Organic Chemicals |
3-ALPHA-HYDROXY-5-BETA-CHOLAN-24-OIC ACID METHYL ESTER is a carbon-based organic compound with CAS registry number 1249-75-8 and molecular formula C25H42O3 (molecular weight 390.6), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 1249-75-8
Its molecular formula C25H42O3 comprises 25 C, 42 H, 3 O atoms.
Also known as: 3-ALPHA-HYDROXY-5-BETA-CHOLAN-24-OIC ACID METHYL ESTER · 甲基石胆酸
Category: organic chemicals
The CAS registry number of 3-ALPHA-HYDROXY-5-BETA-CHOLAN-24-OIC ACID METHYL ESTER is 1249-75-8.
Molecular formula C25H42O3, molecular weight 390.6.
It is also registered under: 3-ALPHA-HYDROXY-5-BETA-CHOLAN-24-OIC ACID METHYL ESTER, 甲基石胆酸.
Category: Organic Chemicals.
Independent reference data for 3-ALPHA-HYDROXY-5-BETA-CHOLAN-24-OIC ACID METHYL ESTER (CAS 1249-75-8), compiled from public chemistry databases.
| CAS 号 | 1249-75-8 |
|---|---|
| PubChem CID | 92880 |
| 分子式 | C25H42O3 |
| IUPAC 名称 | methyl (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate |
| UNII（FDA） | NS00044872 |
| Molecular Weight | 390.6 |
|---|---|
| XLogP3 | 6.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 390.31339520 |
| Monoisotopic Mass | 390.31339520 |
| Topological Polar Surface Area | 46.5 |
| Heavy Atom Count | 28 |
Methyl lithocholate; 1249-75-8; Lithocholic acid, methyl ester; DTXSID501315512; RefChem:925727; DTXCID901745418; 215-002-9; CHEMBL260735; Methyl 3alpha-hydroxy-5beta-cholan-24-oate; NSC63558; lithocholic acid methyl ester; Methyl 3.alpha.-hydroxy-5.beta.-cholanoate; Methyl 3.alpha.-hydroxy-5.beta.-cholan-24-oate; Cholan-24-oic acid, methyl ester, (3.alpha.,5.beta.)-; NSC-63558; NSC 8116
甲基石胆酸 · CAS 1249-75-8 · C25H42O3. UNII NS00044872.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 甲基石胆酸