(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 (CAS 34669-57-3) — formula C24H40O6S, molecular weight 456.6; category organic chemicals.
| CAS Number | 34669-57-3 |
|---|---|
| Molecular Formula | C24H40O6S |
| Molecular Weight | 456.6 |
| LogP | 5.9 |
| Category | Organic Chemicals |
(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 is a carbon-based organic compound with CAS registry number 34669-57-3 and molecular formula C24H40O6S (molecular weight 456.6), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 34669-57-3
Its molecular formula C24H40O6S comprises 24 C, 40 H, 6 O, 1 S atoms.
Also known as: (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
Category: organic chemicals
The CAS registry number of (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 is 34669-57-3.
Molecular formula C24H40O6S, molecular weight 456.6.
It is also registered under: (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.
Category: Organic Chemicals.
Independent reference data for (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 (CAS 34669-57-3), compiled from public chemistry databases.
| 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.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.