(Q104975253)

English

[(3aS,4R,5S,5aS,8aR,9S,9aS)-5,8a-dimethyl-4-[(Z)-2-methylbut-2-enoyl]oxy-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] (2S)-2-methyloxirane-2-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[5,8a-Dimethyl-4-(2-methylbut-2-enoyloxy)-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] 2-methyloxirane-2-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

444.178417856 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₂₈O₈

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canonical SMILES

O=C(OC1C2OC(=O)C(=C)C2C(OC(=O)C3(OC3)C)C4(C(=O)C=CC4C1C)C)C(=CC)C

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isomeric SMILES

C=C1C(=O)O[C@H]2[C@@H]1[C@H](OC(=O)[C@]1(C)CO1)[C@]1(C)C(=O)C=C[C@H]1[C@H](C)[C@H]2OC(=O)/C(C)=C\C

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found in taxon

Anisopappus pinnatifidus

1 reference

stated in

Pseudoguaianolides and other constituents from Anisopappus pinnatifidus and Antiphiona species

Identifiers

InChI

InChI=1S/C24H28O8/c1-7-11(2)20(26)30-17-12(3)14-8-9-15(25)24(14,6)19(32-22(28)23(5)10-29-23)16-13(4)21(27)31-18(16)17/h7-9,12,14,16-19H,4,10H2,1-3,5-6H3/b11-7-/t12-,14-,16+,17+,18-,19-,23-,24-/m0/s1

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InChIKey

DCFGNXVEGZSGLN-YXGRSEEBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DCFGNXVEGZSGLN-YXGRSEEBSA-N

(Q104975253)

[(3aS,4R,5S,5aS,8aR,9S,9aS)-5,8a-dimethyl-4-[(Z)-2-methylbut-2-enoyl]oxy-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] (2S)-2-methyloxirane-2-carboxylate

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Identifiers

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