Showing Metabocard for 5alpha-pregnan-20beta-ol-3-one (BASm0006586)
| Common Name | 5alpha-pregnan-20beta-ol-3-one |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C21H34O2 |
| Average Mass | 318.50100 |
| Monoisotopic Mass | 318.25588 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |
| InChI Identifier | InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-14,16-19,22H,4-12H2,1-3H3/t13?,14?,16?,17?,18?,19?,20-,21+/m0/s1 |
| InChI Key | DYVGYXXLXQESJE-RBGDKHCXSA-N |
| CHEBI ID | CHEBI:78594 |
| HMDB ID | HMDB0186456 |
| State | Not Available |
| 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 |