(Q105272401)

English

[9-Acetyloxy-8-methyl-4-methylidene-8-(oxiran-2-yl)-3-oxo-7-(3-oxoprop-1-en-2-yl)-2-oxabicyclo[3.3.1]nonan-6-yl] 2-hydroxy-2-methylbutanoate

group of stereoisomers with the chemical formula C₂₂H₂₈O₉

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instance of

group of stereoisomers

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subclass of

elemane sesquiterpenoid

1 reference

inferred from

elemane sesquiterpenoid

mass

436.173332476 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₈O₉

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canonical SMILES

O=CC(=C)C1C(OC(=O)C(O)(C)CC)C2C(=C)C(=O)OC(C2OC(=O)C)C1(C)C3OC3

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Identifiers

InChI

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

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InChIKey

UGJQEYPUVSKREF-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UGJQEYPUVSKREF-UHFFFAOYSA-N

(Q105272401)

[9-Acetyloxy-8-methyl-4-methylidene-8-(oxiran-2-yl)-3-oxo-7-(3-oxoprop-1-en-2-yl)-2-oxabicyclo[3.3.1]nonan-6-yl] 2-hydroxy-2-methylbutanoate

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Identifiers

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