(Q105008415)

English

[(4aR,5R,6S,7S,8S,8aR,9aS)-8,9a-dihydroxy-3,4a,5-trimethyl-7-[(E)-2-methylbut-2-enoyl]oxy-2-oxo-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-6-yl] (Z)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[8,9a-dihydroxy-3,4a,5-trimethyl-7-(2-methylbut-2-enoyloxy)-2-oxo-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-6-yl] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

462.225368048 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₄O₈

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canonical SMILES

O=C(OC1C(O)C2CC3(O)OC(=O)C(=C3CC2(C)C(C)C1OC(=O)C(=CC)C)C)C(=CC)C

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isomeric SMILES

C/C=C(/C)C(=O)O[C@@H]1[C@@H](OC(=O)/C(C)=C/C)[C@@H](O)[C@@H]2C[C@]3(O)OC(=O)C(C)=C3C[C@]2(C)[C@H]1C

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found in taxon

Senecio rugegensis

1 reference

stated in

New eremophilenolides from Cacalia pilgeriana

Parasenecio pilgerianus

1 reference

stated in

New eremophilenolides from Cacalia pilgeriana

Identifiers

InChI

InChI=1S/C25H34O8/c1-8-12(3)21(27)31-19-15(6)24(7)10-16-14(5)23(29)33-25(16,30)11-17(24)18(26)20(19)32-22(28)13(4)9-2/h8-9,15,17-20,26,30H,10-11H2,1-7H3/b12-8-,13-9+/t15-,17-,18-,19-,20-,24+,25-/m0/s1

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InChIKey

GHBHBEXTUPRJOL-PQLRIBHYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GHBHBEXTUPRJOL-PQLRIBHYSA-N

(Q105008415)

[(4aR,5R,6S,7S,8S,8aR,9aS)-8,9a-dihydroxy-3,4a,5-trimethyl-7-[(E)-2-methylbut-2-enoyl]oxy-2-oxo-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-6-yl] (Z)-2-methylbut-2-enoate

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