3α,12α-Diacetoxy-7-oxo-5β-cholan-24-oic acid methyl ester (CAS 21066-20-6) — formula C29H44O7, molecular weight 504.7; category organic chemicals.
| CAS Number | 21066-20-6 |
|---|---|
| Molecular Formula | C29H44O7 |
| Molecular Weight | 504.7 |
| LogP | 4.8 |
| Category | Organic Chemicals |
3α,12α-Diacetoxy-7-oxo-5β-cholan-24-oic acid methyl ester is a carbon-based organic compound with CAS registry number 21066-20-6 and molecular formula C29H44O7 (molecular weight 504.7), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 21066-20-6
Its molecular formula C29H44O7 comprises 29 C, 44 H, 7 O atoms.
Also known as: 3α,12α-Diacetoxy-7-oxo-5β-cholan-24-oic acid methyl ester · (3R,5S,8R,9S,10S,12S,13R,14S,17R)-17-((R)-5-甲氧基-5-氧代戊-2-基)-10,13-二甲基-7-氧代十六氢-1H-环戊[a]菲-3,12-二基二乙酸酯 (胆酸杂质)
Category: organic chemicals
The CAS registry number of 3α,12α-Diacetoxy-7-oxo-5β-cholan-24-oic acid methyl ester is 21066-20-6.
Molecular formula C29H44O7, molecular weight 504.7.
It is also registered under: 3α,12α-Diacetoxy-7-oxo-5β-cholan-24-oic acid methyl ester, (3R,5S,8R,9S,10S,12S,13R,14S,17R)-17-((R)-5-甲氧基-5-氧代戊-2-基)-10,13-二甲基-7-氧代十六氢-1H-环戊[a]菲-3,12-二基二乙酸酯 (胆酸杂质).
Category: Organic Chemicals.
Independent reference data for 3α,12α-Diacetoxy-7-oxo-5β-cholan-24-oic acid methyl ester (CAS 21066-20-6), compiled from public chemistry databases.
| CAS 号 | 21066-20-6 |
|---|---|
| PubChem CID | 10983973 |
| 分子式 | C29H44O7 |
| IUPAC 名称 | methyl (4R)-4-[(3R,5S,8R,9S,10S,12S,13R,14S,17R)-3,12-diacetyloxy-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） | AW92R2931N |
| Molecular Weight | 504.7 |
|---|---|
| XLogP3 | 4.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 9 |
| Exact Mass | 504.30870374 |
| Monoisotopic Mass | 504.30870374 |
| Topological Polar Surface Area | 96 |
| Heavy Atom Count | 36 |
21066-20-6; Methyl 3alpha,12alpha-diacetyloxy-7-oxo-5beta-cholanate; AW92R2931N; UNII-AW92R2931N; 5beta-Cholanic acid, 3alpha,12alpha-dihydroxy-7-oxo-, methyl ester, diacetate; 5beta-Cholanic acid, 3alpha,12alpha-dihydroxy-7-oxo-, methyl ester, diacetate, (+)-; Cholan-24-oic acid, 3,12-bis(acetyloxy)-7-oxo-, methyl ester, (3alpha,5beta,12alpha)-; Cholan-24-oic acid, 3,12-bis(acetyloxy)-7-oxo-, methyl ester, (3.alpha.,5.beta.,12.alpha.)-; Deoxycholic Acid Impurity 82; SCHEMBL21658651; DATLSYWCILADOV-YQLBWAHWSA-; Ursodeoxycholic Acid impurity 83; DATLSYWCILADOV-YQLBWAHWSA-N; Methyl 3,12-bis(acetyloxy)-7-oxocholan-24-oate #; Q27274149; METHYL 3.ALPHA.,12.ALPHA.-DIACETYLOXY-7-OXO-5.BETA.-CHOLANATE
| 已通报的危害声明 | H302 (100%), H413 (100%) |
|---|
(3R,5S,8R,9S,10S,12S,13R,14S,17R)-17-((R)-5-甲氧基-5-氧代戊-2-基)-10,13-二甲基-7-氧代十六氢-1H-环戊[a]菲-3,12-二基二乙酸酯 (胆酸杂质) · CAS 21066-20-6 · C29H44O7. UNII AW92R2931N.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.