Showing Metabocard for 12alpha-hydroxy-3-oxochola-4,6-dien-24-oate (BASm0003727)
| Common Name | 12alpha-hydroxy-3-oxochola-4,6-dien-24-oate |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C24H33O4 |
| Average Mass | 385.52500 |
| Monoisotopic Mass | 385.23843 |
| 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=CC4=CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C |
| InChI Identifier | InChI=1S/C24H34O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h5-6,12,14,17-21,26H,4,7-11,13H2,1-3H3,(H,27,28)/p-1/t14-,17+,18-,19+,20+,21+,23+,24-/m1/s1 |
| InChI Key | DJVAMCYXFUWMLS-QUPGBHKMSA-M |
| CHEBI ID | CHEBI:58804 |
| MiMeDB ID | MMDBc0055164 |
| 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 |