(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 (CAS 60262-91-1) — formula C24H40O10S2, molecular weight 552.7; category organic chemicals.
| CAS Number | 60262-91-1 |
|---|---|
| Molecular Formula | C24H40O10S2 |
| Molecular Weight | 552.7 |
| LogP | 4.2 |
| Category | Organic Chemicals |
(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 is a carbon-based organic compound with CAS registry number 60262-91-1 and molecular formula C24H40O10S2 (molecular weight 552.7), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 60262-91-1
Its molecular formula C24H40O10S2 comprises 24 C, 40 H, 10 O, 2 S atoms.
Also known as: (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
Category: organic chemicals
The CAS registry number of (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 is 60262-91-1.
Molecular formula C24H40O10S2, molecular weight 552.7.
It is also registered under: (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.
Category: Organic Chemicals.
Independent reference data for (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 (CAS 60262-91-1), compiled from public chemistry databases.
| 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.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.