input word = C00017414

Metabolite InformationStructural formula
Name [4S-(4alpha,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-methylbutanoic acid
Formula C20H28O4
Mw 332.19875938
CAS RN 55050-52-7
C_ID C00017414 ,
InChIKey XPYNVQSTCNQPNQ-FSXZITTHNA-N
InChICode InChI=1S/C20H28O4/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/h10-11,13-14,19H,6-9H2,1-5H3/t13-,14-,19+,20+/m0/s1
SMILES Cc1coc2c1[C@@H](OC(=O)CC(C)C)[C@]1(C)[C@@H](C)CCC[C@H]1C2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSenecio umbellatus Ref.
zoom in