input word = C00017322

Metabolite InformationStructural formula
Name [1aR-[1aalpha,4beta,4abeta,5beta(Z),9aS*]]-1a,2,4,4a,5,9-Hexahydro-4,4a,6-trimethyl-3H-oxireno[8,8a]naphtho[2,3-b]furan-5-yl ester 4-hydroxy-2-methyl-2-butenoic acid
Formula C20H26O5
Mw 346.17802394
CAS RN 63366-01-8
C_ID C00017322 ,
InChIKey GEHSMLAJCBNTPU-VTHJIDQBNA-N
InChICode InChI=1S/C20H26O5/c1-11(7-8-21)18(22)24-17-16-12(2)10-23-14(16)9-20-15(25-20)6-5-13(3)19(17,20)4/h7,10,13,15,17,21H,5-6,8-9H2,1-4H3/b11-7-/t13-,15+,17+,19-,20+/m0/s1
SMILES C1C[C@@H]([C@@]2([C@]3([C@@H]1O3)Cc1c([C@H]2OC(=O)/C(=C\CO)/C)c(co1)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLigularia vorobierii Ref.
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OrganismLigularia vorobierii
ReferenceSato,Chem.Lett.,(1972),637

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

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

Bohlmann,Chem.Ber.,110,(1977),1759