(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-二甲基-3-磺氧基-2,3,4,5,6,7,8,9,11,12,14,15,16,17-十四氢-1H-环戊[a]菲-17-基]戊酸(CAS 34669-57-3):分子式 C24H40O6S、分子量 456.6。
| CAS号 | 34669-57-3 |
|---|---|
| 分子式 | C24H40O6S |
| 分子量 | 456.6 |
| LogP | 5.9 |
(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-二甲基-3-磺氧基-2,3,4,5,6,7,8,9,11,12,14,15,16,17-十四氢-1H-环戊[a]菲-17-基]戊酸 是一种化工化合物,登记 CAS 号为 34669-57-3,分子式 C24H40O6S(分子量 456.6)。
登记 CAS 号:34669-57-3
其分子式 C24H40O6S 由 24 个碳、40 个氢、6 个氧、1 个硫 组成。
别名/同义词:(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-二甲基-3-磺氧基-2,3,4,5,6,7,8,9,11,12,14,15,16,17-十四氢-1H-环戊[a]菲-17-基]戊酸 · (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-sulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-二甲基-3-磺氧基-2,3,4,5,6,7,8,9,11,12,14,15,16,17-十四氢-1H-环戊[a]菲-17-基]戊酸 的 CAS 登记号为 34669-57-3。
分子式 C24H40O6S,分子量 456.6。
别名/同义词:(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-二甲基-3-磺氧基-2,3,4,5,6,7,8,9,11,12,14,15,16,17-十四氢-1H-环戊[a]菲-17-基]戊酸、(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-sulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid。
(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-二甲基-3-磺氧基-2,3,4,5,6,7,8,9,11,12,14,15,16,17-十四氢-1H-环戊[a]菲-17-基]戊酸(CAS 34669-57-3)的独立参考数据,整理自公开化学数据库。
| CAS 号 | 34669-57-3 |
|---|---|
| PubChem CID | 451489 |
| 分子式 | C24H40O6S |
| IUPAC 名称 | (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-sulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid |
| UNII(FDA) | 0ENK5NMI1I |
| Molecular Weight | 456.6 |
|---|---|
| XLogP3 | 5.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 456.25456017 |
| Monoisotopic Mass | 456.25456017 |
| Topological Polar Surface Area | 109 |
| Heavy Atom Count | 31 |
Sulfolithocholic acid; 34669-57-3; 0ENK5NMI1I; 3alpha-sulfooxy-5beta-cholan-24-oic acid; DTXSID901043664; RefChem:932377; Cholan-24-oic acid, 3-(sulfooxy)-, (3alpha)-; DTXCID101526129; lithocholic acid sulfate; lithocholic acid 3-sulfate; Lithocholic acid, 3-sulfate; CHEMBL260315; ST 24:1;O3;S; Lithocholic acid 3-alpha-sulfate; (3alpha,5beta)-3-(sulfooxy)cholan-24-oic acid; 64936-81-8
(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-二甲基-3-磺氧基-2,3,4,5,6,7,8,9,11,12,14,15,16,17-十四氢-1H-环戊[a]菲-17-基]戊酸 · CAS 34669-57-3 · C24H40O6S. UNII 0ENK5NMI1I.
数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。