input word = C00020055

Metabolite InformationStructural formula
Name [2R-[2alpha(Z),4beta,4abeta]]-2,3,4,4a,7,8-Hexahydro-1,6-dimethyl-4-(1-methylethyl)-2-naphthalenyl ester 2-methyl-2-butenoic acid
Formula C20H30O2
Mw 302.2245802
CAS RN 72943-93-2
C_ID C00020055 ,
InChIKey CHTNJNLLXNEPBK-VFPHHJAONA-N
InChICode InChI=1S/C20H30O2/c1-7-14(5)20(21)22-19-11-17(12(2)3)18-10-13(4)8-9-16(18)15(19)6/h7,10,12,17-19H,8-9,11H2,1-6H3/b14-7-/t17-,18+,19+/m0/s1
SMILES C1[C@H](C(=C2[C@H]([C@@H]1C(C)C)C=C(CC2)C)C)OC(=O)/C(=C\C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHeterotheca subaxillaris Ref.
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OrganismHeterotheca subaxillaris
ReferenceBohlmann,Phytochem.,18,(1979),1185

Bohlmann,Phytochem.,18,(1979),1675