Showing Metabocard for beta-seco-amyrin (BASm0004461)
| Common Name | Beta-seco-amyrin |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C30H50O |
| Average Mass | 426.72900 |
| Monoisotopic Mass | 426.38617 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | CC1=CC[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@H]1CCC1=C(C)CC[C@@]2(C)CCC(C)(C)C[C@@H]12 |
| InChI Identifier | InChI=1S/C30H50O/c1-20-13-15-29(7)18-17-27(3,4)19-24(29)22(20)10-11-23-21(2)9-12-25-28(5,6)26(31)14-16-30(23,25)8/h9,23-26,31H,10-19H2,1-8H3/t23-,24-,25-,26-,29-,30+/m0/s1 |
| InChI Key | BVMWOSNBDNNUBA-NBANTFJXSA-N |
| CHEBI ID | CHEBI:63466 |
| MiMeDB ID | MMDBc0052893 |
| 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 |