input word = C00017340

Metabolite InformationStructural formula
Name [4aS-[4aalpha,5alpha,6alpha(Z),7alpha,8aalpha]]-7-(Acetyloxy)-4,4a,5,6,7,8,8a,9-octahydro-3,4a,5-trimethylnaphtho[2,3-b]furan-6-yl ester 2-methyl-2-butenoic acid
Formula C22H30O5
Mw 374.20932407
CAS RN 54878-86-3
C_ID C00017340 ,
InChIKey XYKLXGAMSCMNFT-GOVZJKQXNA-N
InChICode InChI=1S/C22H30O5/c1-7-12(2)21(24)27-20-14(4)22(6)10-17-13(3)11-25-18(17)8-16(22)9-19(20)26-15(5)23/h7,11,14,16,19-20H,8-10H2,1-6H3/b12-7-/t14-,16-,19-,20+,22-/m0/s1
SMILES C/C=C(/C)C(=O)O[C@H]1[C@@H](OC(C)=O)C[C@@H]2Cc3occ(C)c3C[C@]2(C)[C@H]1C
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