(Q105112227)

English

[(3aS,6S,6aS,9R,9aS,9bR)-9-acetyloxy-9a-methyl-3-methylidene-2-oxo-4,5,6,6a,7,8,9,9b-octahydro-3aH-azuleno[4,5-b]furan-6-yl]methyl acetate

chemical compound

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instance of

type of chemical entity

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subclass of

(9-acetyloxy-9a-methyl-3-methylidene-2-oxo-4,5,6,6a,7,8,9,9b-octahydro-3aH-azuleno[4,5-b]furan-6-yl)methyl acetate

1 reference

based on heuristic

inferred from SMILES

mass

350.172938552 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₉H₂₆O₆

0 references

canonical SMILES

O=C1OC2C(C1=C)CCC(COC(=O)C)C3CCC(OC(=O)C)C23C

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isomeric SMILES

C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](COC(C)=O)[C@@H]1CC[C@@H](OC(C)=O)[C@]12C

0 references

found in taxon

Parthenium bipinnatifidum

1 reference

stated in

The sesquiterpene lactone chemistry of the genus Parthenium (compositae)

Identifiers

InChI

InChI=1S/C19H26O6/c1-10-14-6-5-13(9-23-11(2)20)15-7-8-16(24-12(3)21)19(15,4)17(14)25-18(10)22/h13-17H,1,5-9H2,2-4H3/t13-,14+,15+,16-,17-,19+/m1/s1

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InChIKey

IFKXXSFDNAVPTP-DFUGEXAVSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IFKXXSFDNAVPTP-DFUGEXAVSA-N

(Q105112227)

[(3aS,6S,6aS,9R,9aS,9bR)-9-acetyloxy-9a-methyl-3-methylidene-2-oxo-4,5,6,6a,7,8,9,9b-octahydro-3aH-azuleno[4,5-b]furan-6-yl]methyl acetate

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Identifiers

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