(4R)-4-[(3S,5R,8S,9S,10S,12S,13R,14S)-1,3,12-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 80434-32-8) — formula C24H40O5, molecular weight 408.6; category organic chemicals.
| CAS Number | 80434-32-8 |
|---|---|
| Molecular Formula | C24H40O5 |
| Molecular Weight | 408.6 |
| LogP | 3.9 |
| Category | Organic Chemicals |
(4R)-4-[(3S,5R,8S,9S,10S,12S,13R,14S)-1,3,12-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 80434-32-8 and molecular formula C24H40O5 (molecular weight 408.6), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 80434-32-8
Its molecular formula C24H40O5 comprises 24 C, 40 H, 5 O atoms.
Also known as: (4R)-4-[(3S,5R,8S,9S,10S,12S,13R,14S)-1,3,12-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 · 熊去氧胆酸杂质31
Category: organic chemicals
The CAS registry number of (4R)-4-[(3S,5R,8S,9S,10S,12S,13R,14S)-1,3,12-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 80434-32-8.
Molecular formula C24H40O5, molecular weight 408.6.
It is also registered under: (4R)-4-[(3S,5R,8S,9S,10S,12S,13R,14S)-1,3,12-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, 熊去氧胆酸杂质31.
Category: Organic Chemicals.
Independent reference data for (4R)-4-[(3S,5R,8S,9S,10S,12S,13R,14S)-1,3,12-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 80434-32-8), compiled from public chemistry databases.
| CAS 号 | 80434-32-8 |
|---|---|
| PubChem CID | 5283850 |
| 分子式 | C24H40O5 |
| IUPAC 名称 | (4R)-4-[(1R,3S,5R,8S,9S,10S,12S,13R,14S,17R)-1,3,12-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） | HTY43X1B1P |
| Molecular Weight | 408.6 |
|---|---|
| XLogP3 | 3.9 |
| 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 |
1beta-hydroxydeoxycholic acid; 80434-32-8; HTY43X1B1P; 1beta,3alpha,12alpha-Trihydroxy-5beta-cholan-24-oic Acid; CHEBI:136724; DTXSID101311413; Cholan-24-oic acid, 1,3,12-trihydroxy-, (1beta,3alpha,5beta,12alpha)-; 1beta,3alpha,12alpha-Trihydroxy-5beta-cholanoic acid; 1 beta, 3alpha, 12alpha-Trihydroxy-5beta-cholanoic acid; RefChem:1057680; DTXCID101741248; UNII-HTY43X1B1P; 1|A-Hydroxydeoxycholic Acid; 1?-Hydroxydeoxycholic Acid; 1beta-Hydroxydeoxycholic Acid-D4 (major); LMST04010063
熊去氧胆酸杂质31 · CAS 80434-32-8 · C24H40O5. UNII HTY43X1B1P.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 熊去氧胆酸杂质31