Showing Metabocard for alpha-seco-amyrin (BASm0004459)
| Common Name | Alpha-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)CC[C@@H](C)[C@H](C)[C@@H]12 |
| InChI Identifier | InChI=1S/C30H50O/c1-19-13-16-29(7)17-14-20(2)23(27(29)22(19)4)10-11-24-21(3)9-12-25-28(5,6)26(31)15-18-30(24,25)8/h9,19,22,24-27,31H,10-18H2,1-8H3/t19-,22+,24+,25+,26+,27+,29-,30-/m1/s1 |
| InChI Key | BMTRRCREWLAQBX-CHJNBIAGSA-N |
| CHEBI ID | CHEBI:63464 |
| MiMeDB ID | MMDBc0052863 |
| 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 |