input word = C00017356

Metabolite InformationStructural formula
Name [4aS-[4aalpha,5alpha(Z),6alpha(Z),8aalpha]]-4,4a,5,6,7,8,8a,9-Octahydro-3,4a-dimethyl-6-[(2-methyl-1-oxo-2-butenyl)oxy]-naphtho[2,3-b]furan-5-acetic acid 1-methyl-1-propenyl ester
Formula C25H34O5
Mw 414.2406242
CAS RN 54878-39-6
C_ID C00017356 ,
InChIKey OGARMRCBNAUZBF-OPDVTINXNA-N
InChICode InChI=1S/C25H34O5/c1-7-15(3)24(27)30-21-10-9-18-11-22-19(16(4)14-28-22)13-25(18,6)20(21)12-23(26)29-17(5)8-2/h7-8,14,18,20-21H,9-13H2,1-6H3/b15-7-,17-8-/t18-,20+,21+,25-/m1/s1
SMILES C1[C@@H]([C@@H]([C@]2([C@H](C1)Cc1c(C2)c(co1)C)C)CC(=O)O/C(=C\C)/C)OC(=O)/C(=C\C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeOthonna spp. Ref.
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OrganismOthonna spp.
ReferenceBohlmann,Chem.Ber.,107,(1974),3928