input word = C00012961

Metabolite InformationStructural formula
Name Montathanolide
[3aS-(3aalpha,5abeta,6beta,8beta,9bbeta)]-8-(Acetyloxy)-3a,4,5,5a,6,7,8,9b-octahydro-6-hydroxy-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one
Formula C17H22O5
Mw 306.14672381
CAS RN 72635-13-3
C_ID C00012961 ,
InChIKey UYZUYWOOBCEDFT-ILBAOWMTNA-N
InChICode InChI=1S/C17H22O5/c1-8-11-5-6-17(4)13(19)7-12(21-10(3)18)9(2)14(17)15(11)22-16(8)20/h11-13,15,19H,1,5-7H2,2-4H3/t11-,12-,13+,15-,17-/m0/s1
SMILES C=C1C(=O)O[C@@H]2C3=C(C)[C@@H](OC(C)=O)C[C@@H](O)[C@]3(C)CC[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAthanasia dregeana Ref.
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OrganismAthanasia dregeana
ReferenceBohlmann,Phytochem.,18,(1979),995

Bohlmann,Phytochem.,23,(1983),1665