input word = C00017425

Metabolite InformationStructural formula
Name [4S-(4alpha,4aalpha,5alpha)]-4,4a,5,6,7,9-Hexahydro-3,4a,5-trimethyl-9-oxonaphtho[2,3-b]furan-4-yl ester 3-methylbutanoic acid
Formula C20H26O4
Mw 330.18310932
CAS RN 59742-02-8
C_ID C00017425 ,
InChIKey FWENKENVKHNNFP-QJRPGMPCNA-N
InChICode InChI=1S/C20H26O4/c1-11(2)9-15(21)24-19-16-12(3)10-23-18(16)17(22)14-8-6-7-13(4)20(14,19)5/h8,10-11,13,19H,6-7,9H2,1-5H3/t13-,19+,20+/m0/s1
SMILES C1C[C@@H]([C@@]2(C(=C1)C(=O)c1c([C@H]2OC(=O)CC(C)C)c(co1)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSenecio praecox Ref.
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OrganismSenecio praecox
ReferenceBohlmann,Chem.Ber.,105,(1972),3523

Bohlmann,Chem.Ber.,107,(1974),2730

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

Bohlmann,Chem.Ber.,109,(1976),819

Bohlmann,Chem.Ber.,109,(1976),3570

Bohlmann,Chem.Ber.,110,(1977),474

Bohlmann,Phytochem.,20,(1981),2389