methyl 3alpha-[(ethoxycarbonyl)oxy]-12alpha-hydroxy-5beta-cholan-24-oate (CAS 70779-09-8) — formula C28H46O6, molecular weight 478.7; category organic chemicals.
| CAS Number | 70779-09-8 |
|---|---|
| Molecular Formula | C28H46O6 |
| Molecular Weight | 478.7 |
| LogP | 6.6 |
| Category | Organic Chemicals |
methyl 3alpha-[(ethoxycarbonyl)oxy]-12alpha-hydroxy-5beta-cholan-24-oate is a carbon-based organic compound with CAS registry number 70779-09-8 and molecular formula C28H46O6 (molecular weight 478.7), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 70779-09-8
Its molecular formula C28H46O6 comprises 28 C, 46 H, 6 O atoms.
Also known as: methyl 3alpha-[(ethoxycarbonyl)oxy]-12alpha-hydroxy-5beta-cholan-24-oate · 3α-[(乙氧基羰基)氧基]-12α-羟基-5β-胆烷-24-燕麦酸甲酯
Category: organic chemicals
The CAS registry number of methyl 3alpha-[(ethoxycarbonyl)oxy]-12alpha-hydroxy-5beta-cholan-24-oate is 70779-09-8.
Molecular formula C28H46O6, molecular weight 478.7.
It is also registered under: methyl 3alpha-[(ethoxycarbonyl)oxy]-12alpha-hydroxy-5beta-cholan-24-oate, 3α-[(乙氧基羰基)氧基]-12α-羟基-5β-胆烷-24-燕麦酸甲酯.
Category: Organic Chemicals.
Independent reference data for methyl 3alpha-[(ethoxycarbonyl)oxy]-12alpha-hydroxy-5beta-cholan-24-oate (CAS 70779-09-8), compiled from public chemistry databases.
| CAS 号 | 70779-09-8 |
|---|---|
| PubChem CID | 3047759 |
| 分子式 | C28H46O6 |
| IUPAC 名称 | methyl (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3-ethoxycarbonyloxy-12-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） | NS00063094 |
| Molecular Weight | 478.7 |
|---|---|
| XLogP3 | 6.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 9 |
| Exact Mass | 478.32943918 |
| Monoisotopic Mass | 478.32943918 |
| Topological Polar Surface Area | 82.1 |
| Heavy Atom Count | 34 |
Methyl 3alpha-((ethoxycarbonyl)oxy)-12alpha-hydroxy-5beta-cholan-24-oate; 70779-09-8; Methyl 3alpha-[(ethoxycarbonyl)oxy]-12alpha-hydroxy-5beta-cholan-24-oate; EINECS 274-885-9; DTXSID00991045; NS00063094; Methyl 3-[(ethoxycarbonyl)oxy]-12-hydroxycholan-24-oate; 5beta-Cholan-24-oic acid, 3alpha-((ethoxycarbonyl)oxy)-12alpha-hydroxy-, methyl ester
3α-[(乙氧基羰基)氧基]-12α-羟基-5β-胆烷-24-燕麦酸甲酯 · CAS 70779-09-8 · C28H46O6. UNII NS00063094.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.