Showing Metabocard for (1S)-1-hydroxy-23-oxo-24,25,26,27-tetranorcalciol (BASm0002223)
| Common Name | (1s)-1-hydroxy-23-oxo-24,25,26,27-tetranorcalciol |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C23H34O3 |
| Average Mass | 358.52200 |
| Monoisotopic Mass | 358.25080 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CC=O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O |
| InChI Identifier | InChI=1S/C23H34O3/c1-15(10-12-24)20-8-9-21-17(5-4-11-23(20,21)3)6-7-18-13-19(25)14-22(26)16(18)2/h6-7,12,15,19-22,25-26H,2,4-5,8-11,13-14H2,1,3H3/b17-6?,18-7-/t15-,19+,20-,21+,22+,23?/m0/s1 |
| InChI Key | AOVGFTJYESGAEA-VZEJBDIDSA-N |
| CHEBI ID | CHEBI:47820 |
| MiMeDB ID | MMDBc0048866 |
| 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 |