input word = C00012735

Metabolite InformationStructural formula
Name [1S-(1alpha,2beta,4abeta,8aalpha)]-1,2,3,4,4a,5,6,8a-Octahydro-4a,8-dimethyl-2-(1-methylethenyl)-1-naphthalenol acetate
Formula C17H26O2
Mw 262.19328007
CAS RN 67996-63-8
C_ID C00012735 ,
InChIKey UXZGNEAUHSCFPV-FLSUXYDWNA-N
InChICode InChI=1S/C17H26O2/c1-11(2)14-8-10-17(5)9-6-7-12(3)15(17)16(14)19-13(4)18/h7,14-16H,1,6,8-10H2,2-5H3/t14-,15+,16-,17+/m0/s1
SMILES C1(=CCC[C@]2([C@H]1[C@H]([C@@H](CC2)C(=C)C)OC(=O)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChenopodiaceaeChenopodium botrys Ref.
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OrganismChenopodium botrys
ReferenceTeresa,An.Quim.,74,(1978),1023