(Q104911782)

English

(3aS,4aS,5S,5aR,6aS)-5a-methyl-3-methylidene-5-(3-oxobutyl)-3a,4,4a,5,6,6a-hexahydrocyclopropa[f][1]benzofuran-2-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(4S)-5-methyl-10-methylidene-4-(3-oxobutyl)-8-oxatricyclo[5.3.0.0³,⁵]decan-9-one

1 reference

based on heuristic

inferred from SMILES

mass

248.1412445 dalton

1 reference

1 reference

(3aR,4aS,5S,5aS,6aR)-5a-methyl-3-methylidene-5-(3-oxobutyl)-3a,4,4a,5,6,6a-hexahydrocyclopropa[f][1]benzofuran-2-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₅H₂₀O₃

0 references

canonical SMILES

O=C1OC2CC3(C)C(CCC(=O)C)C3CC2C1=C

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isomeric SMILES

C=C1C(=O)O[C@H]2C[C@]3(C)[C@@H](CCC(C)=O)[C@@H]3C[C@@H]12

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found in taxon

Arnica longifolia

1 reference

stated in

The components of Arnica species. IX. Two sesquiterpene lactones from the flowers of Arnica longifolia

Klasea latifolia

1 reference

stated in

Sesquiterpene lactones from Serratula latifolia

Identifiers

InChI

InChI=1S/C15H20O3/c1-8(16)4-5-11-12-6-10-9(2)14(17)18-13(10)7-15(11,12)3/h10-13H,2,4-7H2,1,3H3/t10-,11-,12-,13-,15+/m0/s1

0 references

InChIKey

AGIQIKMGJVLKMA-MJDBTJCESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AGIQIKMGJVLKMA-MJDBTJCESA-N

(Q104911782)

(3aS,4aS,5S,5aR,6aS)-5a-methyl-3-methylidene-5-(3-oxobutyl)-3a,4,4a,5,6,6a-hexahydrocyclopropa[f][1]benzofuran-2-one

Statements

Identifiers

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