input word = C00017416

Metabolite InformationStructural formula
Name [4S-[4alpha(E),4aalpha,5alpha,8abeta]]-4,4a,5,6,7,8,8a,9-Octahydro-3,4a,5-trimethyl-9-oxonaphtho[2,3-b]furan-4-yl ester 3-methyl-2-pentenoic acid
Formula C21H28O4
Mw 344.19875938
CAS RN 59742-01-7
C_ID C00017416 ,
InChIKey LNFUVCZSCYWOTA-JWPVBAHGNA-N
InChICode InChI=1S/C21H28O4/c1-6-12(2)10-16(22)25-20-17-13(3)11-24-19(17)18(23)15-9-7-8-14(4)21(15,20)5/h10-11,14-15,20H,6-9H2,1-5H3/b12-10+/t14-,15-,20+,21+/m0/s1
SMILES CC/C(C)=C/C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CCC[C@H](C)[C@@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSenecio praecox Ref.
zoom in



OrganismSenecio praecox
ReferenceBohlmann,Chem.Ber.,105,(1972),3523

Bohlmann,Chem.Ber.,107,(1974),2912

Bohlmann,109,(1976),819