input word = C00012956

Metabolite InformationStructural formula
Name Tanapsin
[3aR-[3aalpha,4alpha(Z),4aalpha,5beta,8beta,8abeta,9abeta]]-Dodecahydro-5,8-dihydroxy-5,8a-dimethyl-3-methylene-2-oxonaphtho[2,3-b]furan-4-yl ester 2-methyl-2-butenoic acid
Formula C20H28O6
Mw 364.18858863
CAS RN 60323-90-2
C_ID C00012956 ,
InChIKey RDPOODRUMBKGIJ-AWBZORIENA-N
InChICode InChI=1S/C20H28O6/c1-6-10(2)17(22)26-15-14-11(3)18(23)25-12(14)9-19(4)13(21)7-8-20(5,24)16(15)19/h6,12-16,21,24H,3,7-9H2,1-2,4-5H3/b10-6-/t12-,13+,14-,15-,16+,19-,20-/m0/s1
SMILES [C@]1([C@H]2[C@]([C@@H](CC1)O)(C[C@H]1[C@@H]([C@@H]2OC(=O)/C(=C\C)/C)C(=C)C(=O)O1)C)(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeTanacetum pseudoachillea Ref.
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