Cholan-24-oic acid,3,12-dioxo-, (5b)- structure
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Common Name | Cholan-24-oic acid,3,12-dioxo-, (5b)- | ||
|---|---|---|---|---|
| CAS Number | 2958-05-6 | Molecular Weight | 388.54000 | |
| Density | 1.12g/cm3 | Boiling Point | 544.7ºC at 760mmHg | |
| Molecular Formula | C24H36O4 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 297.3ºC | |
| Name | (4R)-4-[(5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,12-dioxo-2,4,5,6,7,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid |
|---|---|
| Synonym | More Synonyms |
| Density | 1.12g/cm3 |
|---|---|
| Boiling Point | 544.7ºC at 760mmHg |
| Molecular Formula | C24H36O4 |
| Molecular Weight | 388.54000 |
| Flash Point | 297.3ºC |
| Exact Mass | 388.26100 |
| PSA | 71.44000 |
| LogP | 4.89430 |
| Vapour Pressure | 2.64E-13mmHg at 25°C |
| Index of Refraction | 1.527 |
| InChIKey | XNTYYYINMGRBQW-ZEZONBOOSA-N |
| SMILES | CC(CCC(=O)O)C1CCC2C3CCC4CC(=O)CCC4(C)C3CC(=O)C12C |
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATAMUTATION DATA
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| Precursor 0 | |
|---|---|
| DownStream 3 | |
| 3,12-Dioxo-5beta-cholanoic acid |
| 3,12-dioxo-7-deoxycholic acid |
| EINECS 220-982-6 |
| Cholic acid,dehydrodeoxy |
| Dehydrodeoxycholic acid |
| 3,12-dioxo-cholanic acid |
| 3,12-dioxocholanoic acid |
| 3,12-Diketo-5beta-cholanic acid |