(Q105350278)

English

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

group of stereoisomers with the chemical formula C₂₁H₂₆O₈

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instance of

group of stereoisomers

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subclass of

elemane sesquiterpenoid

1 reference

inferred from

elemane sesquiterpenoid

mass

406.162767792 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₆O₈

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canonical SMILES

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

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Identifiers

InChI

InChI=1S/C21H26O8/c1-8-21(7)14(10(2)9-22)15(28-19(25)20(5,6)26)13-11(3)18(24)29-17(21)16(13)27-12(4)23/h8-9,13-17,26H,1-3H2,4-7H3

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InChIKey

YLSANYPALPIPQU-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YLSANYPALPIPQU-UHFFFAOYSA-N

(Q105350278)

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

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Identifiers

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