C00003749 - Marsypianthes chamaedrys
C_ID C00003749
CAS RN 545-47-1
Metabolite Lupenol;(+)-Lupenol;Lupeol
Molecular Formula C30H50O
Organism Marsypianthes chamaedrys
Kingdom Plantae
Family Labiatae
Genus Marsypianthes
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 Mors,Phytochem.,55,(2000),627
Structural formula image