(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid (CAS 5130-29-0) — formula C24H38O4, molecular weight 390.6; category organic chemicals.
| CAS Number | 5130-29-0 |
|---|---|
| Molecular Formula | C24H38O4 |
| Molecular Weight | 390.6 |
| LogP | 4.6 |
| Category | Organic Chemicals |
(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid is a carbon-based organic compound with CAS registry number 5130-29-0 and molecular formula C24H38O4 (molecular weight 390.6), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 5130-29-0
Its molecular formula C24H38O4 comprises 24 C, 38 H, 4 O atoms.
Also known as: (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid · 胆酸杂质17；12酮石胆酸
Category: organic chemicals
The CAS registry number of (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid is 5130-29-0.
Molecular formula C24H38O4, molecular weight 390.6.
It is also registered under: (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid, 胆酸杂质17；12酮石胆酸.
Category: Organic Chemicals.
Independent reference data for (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid (CAS 5130-29-0), compiled from public chemistry databases.
| CAS 号 | 5130-29-0 |
|---|---|
| PubChem CID | 3080612 |
| 分子式 | C24H38O4 |
| IUPAC 名称 | (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid |
| UNII（FDA） | 57668172Z5 |
| Molecular Weight | 390.6 |
|---|---|
| XLogP3 | 4.6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 390.27700969 |
| Monoisotopic Mass | 390.27700969 |
| Topological Polar Surface Area | 74.6 |
| Heavy Atom Count | 28 |
12-Ketolithocholic acid; 5130-29-0; 3alpha-Hydroxy-12-oxo-5beta-cholan-24-oic Acid; 3alpha-Hydroxy-12-0X0-5beta-cholanoic acid; 57668172Z5; Cholan-24-oic acid, 3-hydroxy-12-oxo-, (3alpha,5beta)-; DTXSID80199300; RefChem:78236; 3-hydroxy-12-ketocholanoic acid; DTXCID70121791; 3 alpha-hydroxy-12-keto-5 beta-cholanoic acid; 12-Ketodeoxycholic acid; 12-Oxolithocholic acid; CCRIS 3990; Cholic Acid Impurity 9; BAA485
| 已通报的危害声明 | H302 (100%) |
|---|
胆酸杂质17；12酮石胆酸 · CAS 5130-29-0 · C24H38O4. UNII 57668172Z5.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 胆酸杂质17；12酮石胆酸