ethyl N-[(3alpha,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]aminoacetate (CAS 94006-05-0) — formula C28H47NO6, molecular weight 493.7; category organic chemicals.
| CAS Number | 94006-05-0 |
|---|---|
| Molecular Formula | C28H47NO6 |
| Molecular Weight | 493.7 |
| LogP | 3.6 |
| Category | Organic Chemicals |
ethyl N-[(3alpha,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]aminoacetate is a carbon-based organic compound with CAS registry number 94006-05-0 and molecular formula C28H47NO6 (molecular weight 493.7), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 94006-05-0
Its molecular formula C28H47NO6 comprises 28 C, 47 H, 1 N, 6 O atoms.
Also known as: ethyl N-[(3alpha,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]aminoacetate · N-[(3α,7α,12α)-3,7,12-三羟基-24-氧代胆烷-24-基]氨基乙酸乙酯
Category: organic chemicals
The CAS registry number of ethyl N-[(3alpha,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]aminoacetate is 94006-05-0.
Molecular formula C28H47NO6, molecular weight 493.7.
It is also registered under: ethyl N-[(3alpha,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]aminoacetate, N-[(3α,7α,12α)-3,7,12-三羟基-24-氧代胆烷-24-基]氨基乙酸乙酯.
Category: Organic Chemicals.
Independent reference data for ethyl N-[(3alpha,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]aminoacetate (CAS 94006-05-0), compiled from public chemistry databases.
| CAS 号 | 94006-05-0 |
|---|---|
| PubChem CID | 91374619 |
| 分子式 | C28H47NO6 |
| IUPAC 名称 | ethyl 2-[[(4R)-4-[(3R,7R,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]pentanoyl]amino]acetate |
| UNII（FDA） | NS00063774 |
| Molecular Weight | 493.7 |
|---|---|
| XLogP3 | 3.6 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 8 |
| Exact Mass | 493.34033822 |
| Monoisotopic Mass | 493.34033822 |
| Topological Polar Surface Area | 116 |
| Heavy Atom Count | 35 |
Glycocholic acid ethyl ester; 94006-05-0; EINECS 301-341-0; Ethyl N-((3alpha,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl)aminoacetate; NS00063774
N-[(3α,7α,12α)-3,7,12-三羟基-24-氧代胆烷-24-基]氨基乙酸乙酯 · CAS 94006-05-0 · C28H47NO6. UNII NS00063774.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.