(Q105257206)

English

[(3aR)-6,9-dimethyl-3-methylidene-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] (Z)-2-methylbut-2-enoate

group of stereoisomers with the chemical formula C₂₀H₂₂O₅

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Statements

instance of

group of stereoisomers

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subclass of

guaiane sesquiterpenoid

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inferred from

guaiane sesquiterpenoid

mass

342.146723804 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₀H₂₂O₅

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canonical SMILES

O=C(OC1CC(=C2C(=O)C=C(C)C2C3OC(=O)C(=C)C13)C)C(=CC)C

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isomeric SMILES

C=C1C(=O)OC2C3C(C)=CC(=O)C3=C(C)CC(OC(=O)/C(C)=C\C)[C@@H]12

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Identifiers

InChI

InChI=1S/C20H22O5/c1-6-9(2)19(22)24-14-8-11(4)15-13(21)7-10(3)16(15)18-17(14)12(5)20(23)25-18/h6-7,14,16-18H,5,8H2,1-4H3/b9-6-/t14?,16?,17-,18?/m1/s1

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InChIKey

SOUHOZAOAMAEFT-QONSQELUSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

SOUHOZAOAMAEFT-QONSQELUSA-N

1 reference

(Q105257206)

[(3aR)-6,9-dimethyl-3-methylidene-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] (Z)-2-methylbut-2-enoate

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Identifiers

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