input word = C00063571

Metabolite InformationStructural formula
Name (4aS,10aR)-3,4,4a,9,10,10a-Hexahydro-5-hydroxy-8-methoxy-1,1,4a-trimethyl-7-(1-methylethyl)-2(1H)-phenanthrenone
Formula C21H30O3
Mw 330.21949482
CAS RN 99694-88-9
C_ID C00063571
InChIKey SPNKZMRXBVCONG-KKSFZXQISA-N
InChICode InChI=1S/C21H30O3/c1-12(2)14-11-15(22)18-13(19(14)24-6)7-8-16-20(3,4)17(23)9-10-21(16,18)5/h11-12,16,22H,7-10H2,1-6H3/t16-,21-/m0/s1
SMILES COc1c(C(C)C)cc(O)c2c1CCC1C(C)(C)C(=O)CCC21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium wilfordii Ref.
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