4-[(5S,7S,8S,10S,13R,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid (CAS 2955-27-3) — formula C24H40O5, molecular weight 408.6; category organic chemicals.
| CAS Number | 2955-27-3 |
|---|---|
| Molecular Formula | C24H40O5 |
| Molecular Weight | 408.6 |
| LogP | 3.6 |
| Category | Organic Chemicals |
4-[(5S,7S,8S,10S,13R,17R)-3,7,12-trihydroxy-10,13-dimethyl-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 2955-27-3 and molecular formula C24H40O5 (molecular weight 408.6), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 2955-27-3
Its molecular formula C24H40O5 comprises 24 C, 40 H, 5 O atoms.
Also known as: 4-[(5S,7S,8S,10S,13R,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid · 熊果胆酸
Category: organic chemicals
The CAS registry number of 4-[(5S,7S,8S,10S,13R,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid is 2955-27-3.
Molecular formula C24H40O5, molecular weight 408.6.
It is also registered under: 4-[(5S,7S,8S,10S,13R,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid, 熊果胆酸.
Category: Organic Chemicals.
Independent reference data for 4-[(5S,7S,8S,10S,13R,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid (CAS 2955-27-3), compiled from public chemistry databases.
| CAS 号 | 2955-27-3 |
|---|---|
| PubChem CID | 122340 |
| 分子式 | C24H40O5 |
| IUPAC 名称 | (4R)-4-[(3R,5S,7S,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-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） | MLP1T05RBX |
| Molecular Weight | 408.6 |
|---|---|
| XLogP3 | 3.6 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 408.28757437 |
| Monoisotopic Mass | 408.28757437 |
| Topological Polar Surface Area | 98 |
| Heavy Atom Count | 29 |
| Collision Cross Section | 203.3 Ų [M-H]- |
|---|
ursocholic acid; 2955-27-3; 7-Epicholic acid; 3alpha,7beta,12alpha-Trihydroxy-5beta-cholan-24-oic acid; MLP1T05RBX; CHEBI:81240; DTXSID301018756; 3alpha,7beta,12alpha-Trihydroxy-5beta-cholanic acid; RefChem:933866; DTXCID601476787; Ursocholate; MFCD25563269; Ursodeoxycholic Acid EP Impurity D; 7beta-Hydroxyisocholic acid; Cholan-24-oic acid, 3,7,12-trihydroxy-, (3alpha,5beta,7beta,12alpha)-; 7-epicholate
熊果胆酸 · CAS 2955-27-3 · C24H40O5. UNII MLP1T05RBX. Collision Cross Section: 203.3 Ų [M-H]-.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 熊果胆酸