Showing Metabocard for 3beta-hydroxy-7-oxo-5beta-cholan-24-oate (BASm0006595)
| Common Name | 3beta-hydroxy-7-oxo-5beta-cholan-24-oate |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C24H37O4 |
| Average Mass | 389.55700 |
| Monoisotopic Mass | 389.26973 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |
| InChI Identifier | InChI=1S/C24H38O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-19,22,25H,4-13H2,1-3H3,(H,27,28)/p-1/t14-,15+,16-,17-,18+,19+,22+,23+,24-/m1/s1 |
| InChI Key | DXOCDBGWDZAYRQ-AURDAFMXSA-M |
| CHEBI ID | CHEBI:78603 |
| MiMeDB ID | MMDBc0055625 |
| State | Expected Solid |
| Water Solubility | Not Available |
| logS | Not Available |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | Not Available |
| Hydrogen Acceptor Count | Not Available |
| Hydrogen Donor Count | Not Available |
| Rotatable Bond Count | Not Available |
| Physiological Charge | Not Available |
| Formal Charge | Not Available |
| Polarizability | Not Available |