input word = C00017378

Metabolite InformationStructural formula
Name [1aR-[1aalpha,3alpha(Z),4beta,4abeta,5beta,9aS*]]-5-(acetyloxy)-1a,2,4,4a,5,9-Hexahydro-4,4a,6-trimethyl-3H-oxireno[8,8a]naphtho[2,3-b]furan-3-yl ester 2-methyl-2-butenoic acid
Formula C22H28O6
Mw 388.18858863
CAS RN 63366-03-0
C_ID C00017378 ,
InChIKey XRGFNQZLIQYXND-DTMROPFPNA-N
InChICode InChI=1S/C22H28O6/c1-7-11(2)20(24)27-15-8-17-22(28-17)9-16-18(12(3)10-25-16)19(26-14(5)23)21(22,6)13(15)4/h7,10,13,15,17,19H,8-9H2,1-6H3/b11-7-/t13-,15+,17+,19+,21-,22+/m0/s1
SMILES C1[C@H]([C@@H]([C@@]2([C@]3([C@@H]1O3)Cc1c([C@H]2OC(=O)C)c(co1)C)C)C)OC(=O)/C(=C\C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLigularia vorobierii Ref.
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OrganismLigularia vorobierii
ReferenceBohlmann,Chem.Ber.,110,(1977),1759