input word = C00012245

Metabolite InformationStructural formula
Name Calbertolide C
(2E)-(3aR,4R,7R,9S,10Z,11aR)-2,3,3a,4,5,6,7,8,9,11a-Decahydro-7,9-dihydroxy-10-methyl-3,6-bis(methylene)-2-oxocyclodeca[b]furan-4-yl ester 2-methyl-2-butenoic acid
Formula C20H26O6
Mw 362.17293856
CAS RN 97233-10-8
C_ID C00012245 ,
InChIKey SDFKKMBWIQKUOQ-ULQPKXMJNA-N
InChICode InChI=1S/C20H26O6/c1-6-10(2)19(23)25-16-7-11(3)14(21)9-15(22)12(4)8-17-18(16)13(5)20(24)26-17/h6,8,14-18,21-22H,3,5,7,9H2,1-2,4H3/b10-6+,12-8-/t14-,15+,16+,17-,18+/m0/s1
SMILES C1(=C)C[C@H]([C@@H]2[C@H](/C=C(\[C@@H](C[C@@H]1O)O)/C)OC(=O)C2=C)OC(=O)/C(=C/C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCalea berteriana Ref.
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