| C00003749 - Ligularia odontomanes | |
| C_ID | C00003749 |
| CAS RN | 545-47-1 |
| Metabolite | Lupenol;(+)-Lupenol;Lupeol |
| Molecular Formula | C30H50O |
| Organism | Ligularia odontomanes |
| Kingdom | Plantae |
| Family | Asteraceae |
| Genus | Ligularia |
| SMILES | C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2([C@H](CC1)[C@@H]1[C@](CC2)(C)CC[C@H]1C(=C)C)C)C)C)(C)C)O |
| InChI | InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,27+,28-,29+,30+/m0/s1 |
| InChIKey | MQYXUWHLBZFQQO-ZAEXXZHRNA-N |
| Reference | Fei,Chem.Pharm.Bull.,55,(2007),577 |
| Structural formula |  |