Showing Metabocard for lupan-3beta,20-diol (BASm0004350)
| Common Name | Lupan-3beta,20-diol |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C30H52O2 |
| Average Mass | 444.74400 |
| Monoisotopic Mass | 444.39673 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | CC(C)(O)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 |
| InChI Identifier | InChI=1S/C30H52O2/c1-25(2)21-12-16-30(8)22(28(21,6)15-13-23(25)31)10-9-20-24-19(26(3,4)32)11-14-27(24,5)17-18-29(20,30)7/h19-24,31-32H,9-18H2,1-8H3/t19-,20-,21+,22-,23+,24-,27-,28+,29-,30-/m1/s1 |
| InChI Key | YDNYDUBBAZTLTQ-LIVJDELJSA-N |
| CHEBI ID | CHEBI:62735 |
| MiMeDB ID | MMDBc0053426 |
| 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 |