(Q105157213)

English

[(3aS,4R,5S,5aS,8aR,9S,9aS)-5,8a-dimethyl-9-[(Z)-2-methylbut-2-enoyl]oxy-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,7-b]furan-4-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

[5,8a-Dimethyl-9-(2-methylbut-2-enoyloxy)-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,7-b]furan-4-yl] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

442.1991533 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₀O₇

0 references

canonical SMILES

O=C(OC1C2OC(=O)C(=C)C2C(OC(=O)C(=CC)C)C3(C(=O)C=CC3C1C)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(C)=C\C)[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/C25H30O7/c1-8-12(3)22(27)30-19-14(5)16-10-11-17(26)25(16,7)21(32-23(28)13(4)9-2)18-15(6)24(29)31-20(18)19/h8-11,14,16,18-21H,6H2,1-5,7H3/b12-8-,13-9-/t14-,16-,18+,19+,20-,21-,25-/m0/s1

0 references

InChIKey

LTVWFBNFWKOHNF-IMNQQMTISA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LTVWFBNFWKOHNF-IMNQQMTISA-N

(Q105157213)

[(3aS,4R,5S,5aS,8aR,9S,9aS)-5,8a-dimethyl-9-[(Z)-2-methylbut-2-enoyl]oxy-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,7-b]furan-4-yl] (Z)-2-methylbut-2-enoate

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