(Q105199712)

English

(9-formyl-6-hydroxy-5a-methyl-3-methylidene-2-oxo-4,5,6,7,8,9,9a,9b-octahydro-3aH-benzo[g][1]benzofuran-4-yl) 4-acetyloxy-3-hydroxy-2-methylidenebutanoate

group of stereoisomers with the chemical formula C₂₂H₂₈O₉

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Statements

instance of

group of stereoisomers

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subclass of

eudesmane sesquiterpenoid

1 reference

inferred from

eudesmane sesquiterpenoid

mass

436.173332476 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₈O₉

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canonical SMILES

O=CC1CCC(O)C2(C)CC(OC(=O)C(=C)C(O)COC(=O)C)C3C(=C)C(=O)OC3C12

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found in taxon

Centaurea spinosa

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stated in

Correction to Sesquiterpene Lactones from Centaurea spinosa and Their Antibacterial and Cytotoxic Activities

Identifiers

InChI

InChI=1S/C22H28O9/c1-10(14(25)9-29-12(3)24)20(27)30-15-7-22(4)16(26)6-5-13(8-23)18(22)19-17(15)11(2)21(28)31-19/h8,13-19,25-26H,1-2,5-7,9H2,3-4H3

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InChIKey

OTNZRRSVYLOHOL-UHFFFAOYSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105199712)

(9-formyl-6-hydroxy-5a-methyl-3-methylidene-2-oxo-4,5,6,7,8,9,9a,9b-octahydro-3aH-benzo[g][1]benzofuran-4-yl) 4-acetyloxy-3-hydroxy-2-methylidenebutanoate

Statements

Identifiers

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