(4R)-4-[(3R,5S,7R,9S,10S,13R,14S,17R)-10,13-二甲基-3,7-二磺氧基-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 60262-91-1):分子式 C24H40O10S2、分子量 552.7。
| CAS号 | 60262-91-1 |
|---|---|
| 分子式 | C24H40O10S2 |
| 分子量 | 552.7 |
| LogP | 4.2 |
(4R)-4-[(3R,5S,7R,9S,10S,13R,14S,17R)-10,13-二甲基-3,7-二磺氧基-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 60262-91-1,分子式 C24H40O10S2(分子量 552.7)。
登记 CAS 号:60262-91-1
其分子式 C24H40O10S2 由 24 个碳、40 个氢、10 个氧、2 个硫 组成。
别名/同义词:(4R)-4-[(3R,5S,7R,9S,10S,13R,14S,17R)-10,13-二甲基-3,7-二磺氧基-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,5S,7R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7-disulfooxy-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,5S,7R,9S,10S,13R,14S,17R)-10,13-二甲基-3,7-二磺氧基-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 60262-91-1。
分子式 C24H40O10S2,分子量 552.7。
别名/同义词:(4R)-4-[(3R,5S,7R,9S,10S,13R,14S,17R)-10,13-二甲基-3,7-二磺氧基-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,5S,7R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7-disulfooxy-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,5S,7R,9S,10S,13R,14S,17R)-10,13-二甲基-3,7-二磺氧基-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 60262-91-1)的独立参考数据,整理自公开化学数据库。
| CAS 号 | 60262-91-1 |
|---|---|
| PubChem CID | 13990213 |
| 分子式 | C24H40O10S2 |
| IUPAC 名称 | (4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7-disulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid |
| Molecular Weight | 552.7 |
|---|---|
| XLogP3 | 4.2 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 8 |
| Exact Mass | 552.20628982 |
| Monoisotopic Mass | 552.20628982 |
| Topological Polar Surface Area | 181 |
| Heavy Atom Count | 36 |
Chenodeoxycholic acid disulfate; Chenodeoxycholic acid, disulfate; Chenodeoxycholic acid disulphate; SCHEMBL27095060; CHEBI:166726; DTXSID001245673; LMST05020025; 60262-91-1; 3alpha,7alpha-disulfooxy-5beta-cholan-24-oic acid; 3alpha,7alpha-Bis(sulfooxy)-5beta-cholan-24-oic acid; (3I+/-,5I(2),7I+/-)-3,7-Bis(sulfooxy)cholan-24-oic acid; 3alpha,7alpha-Dihydroxy-5beta-cholan-24-oic acid 3,7-disulfate
(4R)-4-[(3R,5S,7R,9S,10S,13R,14S,17R)-10,13-二甲基-3,7-二磺氧基-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 60262-91-1 · C24H40O10S2.
数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。