[(1R,3E,5S,7R,8E,11S)-9-formyl-14-methylidene-13-oxo-6,12-dioxatricyclo[9.3.0.05,7]tetradeca-3,8-dien-4-yl]methyl 2-methylpropanoate (Q104983138)

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chemical compound

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Language	Label	Description	Also known as
English	[(1R,3E,5S,7R,8E,11S)-9-formyl-14-methylidene-13-oxo-6,12-dioxatricyclo[9.3.0.05,7]tetradeca-3,8-dien-4-yl]methyl 2-methylpropanoate	chemical compound

Statements

instance of

type of chemical entity

0 references

subclass of

{9-formyl-14-methylidene-13-oxo-6,12-dioxatricyclo[9.3.0.0⁵,⁷]tetradeca-3,8-dien-4-yl}methyl 2-methylpropanoate

1 reference

based on heuristic

inferred from SMILES

mass

346.141638424 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₉H₂₂O₆

0 references

canonical SMILES

O=CC1=CC2OC2C(=CCC3C(=C)C(=O)OC3C1)COC(=O)C(C)C

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isomeric SMILES

C=C1C(=O)O[C@H]2C/C(C=O)=C\[C@H]3O[C@H]3/C(COC(=O)C(C)C)=C/C[C@H]12

0 references

found in taxon

Mikania microptera

1 reference

stated in

Sesquiterpene lactones and other constituents of Mikania rimachii and Mikania microptera

Identifiers

InChI

InChI=1S/C19H22O6/c1-10(2)18(21)23-9-13-4-5-14-11(3)19(22)25-15(14)6-12(8-20)7-16-17(13)24-16/h4,7-8,10,14-17H,3,5-6,9H2,1-2H3/b12-7+,13-4+/t14-,15+,16-,17+/m1/s1

0 references

InChIKey

DKEPXXSPYUPBQB-RGVGRZJMSA-N

0 references

PubChem CID

15139849

2 references

stated in

PubChem

retrieved

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

DKEPXXSPYUPBQB-RGVGRZJMSA-N

 

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