(3R,5S,7R,8S,9S,10S,12S,13R,14S,17R)-17-[(2R)-6,7-二羟基-6-甲基-庚-2-基]-10,13-二甲基乙基-2,3,4,5,6,7,8,9,11,12,14,15,16,17-十四氢-1H-环戊[a]菲-3,7,12-三醇(CAS 6127-75-9):分子式 C27H48O5、分子量 452.7。
| CAS号 | 6127-75-9 |
|---|---|
| 分子式 | C27H48O5 |
| 分子量 | 452.7 |
| LogP | 3.9 |
(3R,5S,7R,8S,9S,10S,12S,13R,14S,17R)-17-[(2R)-6,7-二羟基-6-甲基-庚-2-基]-10,13-二甲基乙基-2,3,4,5,6,7,8,9,11,12,14,15,16,17-十四氢-1H-环戊[a]菲-3,7,12-三醇 是一种化工化合物,登记 CAS 号为 6127-75-9,分子式 C27H48O5(分子量 452.7)。
登记 CAS 号:6127-75-9
其分子式 C27H48O5 由 27 个碳、48 个氢、5 个氧 组成。
别名/同义词:(3R,5S,7R,8S,9S,10S,12S,13R,14S,17R)-17-[(2R)-6,7-二羟基-6-甲基-庚-2-基]-10,13-二甲基乙基-2,3,4,5,6,7,8,9,11,12,14,15,16,17-十四氢-1H-环戊[a]菲-3,7,12-三醇 · (3R,5S,7R,8S,9S,10S,12S,13R,14S,17R)-17-[(2R)-6,7-dihydroxy-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
(3R,5S,7R,8S,9S,10S,12S,13R,14S,17R)-17-[(2R)-6,7-二羟基-6-甲基-庚-2-基]-10,13-二甲基乙基-2,3,4,5,6,7,8,9,11,12,14,15,16,17-十四氢-1H-环戊[a]菲-3,7,12-三醇 的 CAS 登记号为 6127-75-9。
分子式 C27H48O5,分子量 452.7。
别名/同义词:(3R,5S,7R,8S,9S,10S,12S,13R,14S,17R)-17-[(2R)-6,7-二羟基-6-甲基-庚-2-基]-10,13-二甲基乙基-2,3,4,5,6,7,8,9,11,12,14,15,16,17-十四氢-1H-环戊[a]菲-3,7,12-三醇、(3R,5S,7R,8S,9S,10S,12S,13R,14S,17R)-17-[(2R)-6,7-dihydroxy-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol。
(3R,5S,7R,8S,9S,10S,12S,13R,14S,17R)-17-[(2R)-6,7-二羟基-6-甲基-庚-2-基]-10,13-二甲基乙基-2,3,4,5,6,7,8,9,11,12,14,15,16,17-十四氢-1H-环戊[a]菲-3,7,12-三醇(CAS 6127-75-9)的独立参考数据,整理自公开化学数据库。
| CAS 号 | 6127-75-9 |
|---|---|
| PubChem CID | 5284194 |
| 分子式 | C27H48O5 |
| IUPAC 名称 | (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-6,7-dihydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol |
| Molecular Weight | 452.7 |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 452.35017463 |
| Monoisotopic Mass | 452.35017463 |
| Topological Polar Surface Area | 101 |
| Heavy Atom Count | 32 |
5beta-Cholestane-3alpha,7alpha,12alpha,25,26-pentol; 6127-75-9; RefChem:1073388; 5beta-Bufol; Cholestane-3,7,12,25,26-pentol; 5b-Cholestane-3a,7a,12a,25,26-pentol; Cholestane-3,7,12,25,26-pentol, (3alpha,5beta,7alpha,12alpha)- (VAN); 5 beta-bufol; LMST04030016; SCHEMBL6386351; DTXSID30976764; CHEBI:172124; CHEBI:194331; 5beta-Cholestane-3alpha,7alpha,12alpha,25,27-pentol; 3alpha,7alpha,12alpha,25,27-pentahydroxy-5beta-cholestane
(3R,5S,7R,8S,9S,10S,12S,13R,14S,17R)-17-[(2R)-6,7-二羟基-6-甲基-庚-2-基]-10,13-二甲基乙基-2,3,4,5,6,7,8,9,11,12,14,15,16,17-十四氢-1H-环戊[a]菲-3,7,12-三醇 · CAS 6127-75-9 · C27H48O5.
数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。