input word = C00017343

Metabolite InformationStructural formula
Name [4aS-(4aalpha,5alpha,6beta,7alpha,8abeta)]- 6-(Acetyloxy)-4,4a,5,6,7,8,8a,9-octahydro-3,4a,5-trimethylnaphtho[2,3-b]furan-7-yl ester 3-methyl-2-butenoic acid
Formula C22H30O5
Mw 374.20932407
CAS RN 54878-90-9
C_ID C00017343 ,
InChIKey BFTOORVCRFGUHC-NAIPPBNQNA-N
InChICode InChI=1S/C22H30O5/c1-12(2)7-20(24)27-19-9-16-8-18-17(13(3)11-25-18)10-22(16,6)14(4)21(19)26-15(5)23/h7,11,14,16,19,21H,8-10H2,1-6H3/t14-,16+,19-,21-,22-/m0/s1
SMILES CC(=O)O[C@@H]1[C@@H](OC(=O)C=C(C)C)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