(Q105273507)

English

[(3aS,4R,5S,5aS,8aR,9S,9aS)-5,8a-dimethyl-1-methylidene-4-(2-methylpropanoyloxy)-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] (Z)-2-(acetyloxymethyl)but-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[5,8a-Dimethyl-1-methylidene-4-(2-methylpropanoyloxy)-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] 2-(acetyloxymethyl)but-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

488.204632604 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₃₂O₉

0 references

canonical SMILES

O=C1OC2C(OC(=O)C(C)C)C(C)C3C=CC(=O)C3(C)C(OC(=O)C(=CC)COC(=O)C)C2C1=C

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isomeric SMILES

C=C1C(=O)O[C@H]2[C@@H]1[C@H](OC(=O)/C(=C\C)COC(C)=O)[C@]1(C)C(=O)C=C[C@H]1[C@H](C)[C@H]2OC(=O)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/C26H32O9/c1-8-16(11-32-15(6)27)25(31)35-22-19-14(5)24(30)34-21(19)20(33-23(29)12(2)3)13(4)17-9-10-18(28)26(17,22)7/h8-10,12-13,17,19-22H,5,11H2,1-4,6-7H3/b16-8-/t13-,17-,19+,20+,21-,22-,26-/m0/s1

0 references

InChIKey

UIOBDSTXGJLASQ-OCYWWZTASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UIOBDSTXGJLASQ-OCYWWZTASA-N

(Q105273507)

[(3aS,4R,5S,5aS,8aR,9S,9aS)-5,8a-dimethyl-1-methylidene-4-(2-methylpropanoyloxy)-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] (Z)-2-(acetyloxymethyl)but-2-enoate

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Identifiers

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