(Q105327547)

English

[(3aR,4S,6S,8S,8aS,9aR)-8-hydroxy-5,8a-dimethyl-6-(3-methylbutanoyloxy)-3-methylidene-2-oxo-4,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-4-yl] (E)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[8-hydroxy-5,8a-dimethyl-6-(3-methylbutanoyloxy)-3-methylidene-2-oxo-4,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-4-yl] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

446.230453428 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₄O₇

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canonical SMILES

O=C(OC1C2=C(C)C(OC(=O)CC(C)C)CC(O)C2(C)CC3OC(=O)C(=C)C13)C(=CC)C

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isomeric SMILES

C=C1C(=O)O[C@@H]2C[C@@]3(C)C(=C(C)[C@@H](OC(=O)CC(C)C)C[C@@H]3O)[C@@H](OC(=O)/C(C)=C/C)[C@H]12

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found in taxon

Aspilia foliosa

1 reference

stated in

Steiractinolide ausAspilia- undWedelia-Arten

Identifiers

InChI

InChI=1S/C25H34O7/c1-8-13(4)23(28)32-22-20-15(6)24(29)31-17(20)11-25(7)18(26)10-16(14(5)21(22)25)30-19(27)9-12(2)3/h8,12,16-18,20,22,26H,6,9-11H2,1-5,7H3/b13-8+/t16-,17+,18-,20+,22-,25+/m0/s1

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InChIKey

XGECHFRUBTTWOQ-WSVSXHBLSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105327547)

[(3aR,4S,6S,8S,8aS,9aR)-8-hydroxy-5,8a-dimethyl-6-(3-methylbutanoyloxy)-3-methylidene-2-oxo-4,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-4-yl] (E)-2-methylbut-2-enoate

Statements

Identifiers

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