input word = C00012784

Metabolite InformationStructural formula
Name [1R-(1alpha,2beta,4abeta,8aalpha)]-1-(Acetyloxy)decahydro-alpha,alpha,4a-trimethyl-8-methylene-2-naphthalenemethanol
Formula C17H28O3
Mw 280.20384476
CAS RN 74841-79-5
C_ID C00012784 ,
InChIKey QIVOSAOEZNYGQW-SODFVGLSNA-N
InChICode InChI=1S/C17H28O3/c1-11-7-6-9-17(5)10-8-13(16(3,4)19)15(14(11)17)20-12(2)18/h13-15,19H,1,6-10H2,2-5H3/t13-,14-,15+,17-/m1/s1
SMILES C1[C@]2([C@H](C(=C)CC1)[C@H]([C@@H](CC2)C(C)(C)O)OC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChenopodiaceaeChenopodium botrys Ref.
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OrganismChenopodium botrys
ReferenceNaya,Chem.Lett.,(1972),235

Zdero,Phytochem.,28,(1989),3097