input word = C00017380

Metabolite InformationStructural formula
Name [1aR-(1aalpha,3alpha,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-propenoic acid
Formula C21H26O6
Mw 374.17293856
CAS RN 63366-02-9
C_ID C00017380 ,
InChIKey IGPZIXGZYJCKJA-QITPHJMONA-N
InChICode InChI=1S/C21H26O6/c1-10(2)19(23)26-14-7-16-21(27-16)8-15-17(11(3)9-24-15)18(25-13(5)22)20(21,6)12(14)4/h9,12,14,16,18H,1,7-8H2,2-6H3/t12-,14+,16+,18+,20-,21+/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
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