(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):分子式 C29H44O7、分子量 504.7。
| CAS号 | 21066-20-6 |
|---|---|
| 分子式 | C29H44O7 |
| 分子量 | 504.7 |
| LogP | 4.8 |
(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) 是一种化工化合物,登记 CAS 号为 21066-20-6,分子式 C29H44O7(分子量 504.7)。
登记 CAS 号:21066-20-6
其分子式 C29H44O7 由 29 个碳、44 个氢、7 个氧 组成。
别名/同义词:(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) · 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) 的 CAS 登记号为 21066-20-6。
分子式 C29H44O7,分子量 504.7。
别名/同义词:(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)、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)(CAS 21066-20-6)的独立参考数据,整理自公开化学数据库。
| 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.
数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。
English page: 3α,12α-Diacetoxy-7-oxo-5β-cholan-24-oic acid methyl ester