2-((4aS,4bS,5aS,6aS,7R,8S,9aS,9bS)-7-乙酰氧基-4a,6a,8-三甲基-2-氧代-2,4a,5a,6,6a, 7,8,9,9a,9b,10,11-十二氢环戊并[1,2]菲南特罗[4,4a-b]氧杂环庚烷-7-基)-2-氧代乙基乙酸酯 (倍他米松杂质)(CAS 94237-35-1):分子式 C26H32O7、分子量 456.5。
| CAS号 | 94237-35-1 |
|---|---|
| 分子式 | C26H32O7 |
| 分子量 | 456.5 |
| LogP | 2.6 |
2-((4aS,4bS,5aS,6aS,7R,8S,9aS,9bS)-7-乙酰氧基-4a,6a,8-三甲基-2-氧代-2,4a,5a,6,6a, 7,8,9,9a,9b,10,11-十二氢环戊并[1,2]菲南特罗[4,4a-b]氧杂环庚烷-7-基)-2-氧代乙基乙酸酯 (倍他米松杂质) 是一种化工化合物,登记 CAS 号为 94237-35-1,分子式 C26H32O7(分子量 456.5)。
登记 CAS 号:94237-35-1
其分子式 C26H32O7 由 26 个碳、32 个氢、7 个氧 组成。
别名/同义词:2-((4aS,4bS,5aS,6aS,7R,8S,9aS,9bS)-7-乙酰氧基-4a,6a,8-三甲基-2-氧代-2,4a,5a,6,6a, 7,8,9,9a,9b,10,11-十二氢环戊并[1,2]菲南特罗[4,4a-b]氧杂环庚烷-7-基)-2-氧代乙基乙酸酯 (倍他米松杂质) · 9beta,11beta-epoxy-17,21-dihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 17,21-di(acetate)
2-((4aS,4bS,5aS,6aS,7R,8S,9aS,9bS)-7-乙酰氧基-4a,6a,8-三甲基-2-氧代-2,4a,5a,6,6a, 7,8,9,9a,9b,10,11-十二氢环戊并[1,2]菲南特罗[4,4a-b]氧杂环庚烷-7-基)-2-氧代乙基乙酸酯 (倍他米松杂质) 的 CAS 登记号为 94237-35-1。
分子式 C26H32O7,分子量 456.5。
别名/同义词:2-((4aS,4bS,5aS,6aS,7R,8S,9aS,9bS)-7-乙酰氧基-4a,6a,8-三甲基-2-氧代-2,4a,5a,6,6a, 7,8,9,9a,9b,10,11-十二氢环戊并[1,2]菲南特罗[4,4a-b]氧杂环庚烷-7-基)-2-氧代乙基乙酸酯 (倍他米松杂质)、9beta,11beta-epoxy-17,21-dihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 17,21-di(acetate)。
2-((4aS,4bS,5aS,6aS,7R,8S,9aS,9bS)-7-乙酰氧基-4a,6a,8-三甲基-2-氧代-2,4a,5a,6,6a, 7,8,9,9a,9b,10,11-十二氢环戊并[1,2]菲南特罗[4,4a-b]氧杂环庚烷-7-基)-2-氧代乙基乙酸酯 (倍他米松杂质)(CAS 94237-35-1)的独立参考数据,整理自公开化学数据库。
| CAS 号 | 94237-35-1 |
|---|---|
| PubChem CID | 71300503 |
| 分子式 | C26H32O7 |
| IUPAC 名称 | [2-[(1S,2S,10S,11S,13S,14R,15S,17S)-14-acetyloxy-2,13,15-trimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-14-yl]-2-oxoethyl] acetate |
| UNII(FDA) | NS00040311 |
| Molecular Weight | 456.5 |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 456.21480336 |
| Monoisotopic Mass | 456.21480336 |
| Topological Polar Surface Area | 99.3 |
| Heavy Atom Count | 33 |
94237-35-1; 9beta,11beta-Epoxy-17,21-dihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 17,21-di(acetate); EINECS 304-131-7; Pregna-1,4-diene-3,20-dione, 17,21-bis(acetyloxy)-9,11-epoxy-16-methyl-, (9beta,11beta,16beta)-; DTXSID20241216; NS00040311; 16-Methyl-3,20-dioxo-9beta,11beta,16beta-9,11-epoxypregna-1,4-diene-17,21-diyl diacetate; Pregna-1,4-diene-3,20-dione, 17,21-bis(acetyloxy)-9,11-epoxy-16-methyl-, (9|A,11|A,16|A)-
2-((4aS,4bS,5aS,6aS,7R,8S,9aS,9bS)-7-乙酰氧基-4a,6a,8-三甲基-2-氧代-2,4a,5a,6,6a, 7,8,9,9a,9b,10,11-十二氢环戊并[1,2]菲南特罗[4,4a-b]氧杂环庚烷-7-基)-2-氧代乙基乙酸酯 (倍他米松杂质) · CAS 94237-35-1 · C26H32O7. UNII NS00040311.
数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。
English page: 9beta,11beta-epoxy-17,21-dihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 17,21-di(acetate)