(Q105379241)

English

[(3aS,4R,5S,5aS,8aR,9S,9aS)-5,8a-dimethyl-1-methylidene-9-(2-methylprop-2-enoyloxy)-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,7-b]furan-4-yl] 2-methylpropanoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

4a,8-dimethyl-3-methylidene-9-[(2-methylpropanoyl)oxy]-2,5-dioxo-3aH,4H,7aH,8H,9H,9aH-azuleno[6,5-b]furan-4-yl 2-methylprop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

416.183503236 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₂₈O₇

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canonical SMILES

O=C(OC1C2C(=C)C(=O)OC2C(OC(=O)C(C)C)C(C)C3C=CC(=O)C13C)C(=C)C

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isomeric SMILES

C=C(C)C(=O)O[C@H]1[C@@H]2C(=C)C(=O)O[C@@H]2[C@H](OC(=O)C(C)C)[C@@H](C)[C@@H]2C=CC(=O)[C@]21C

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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/C23H28O7/c1-10(2)20(25)28-17-12(5)14-8-9-15(24)23(14,7)19(30-21(26)11(3)4)16-13(6)22(27)29-18(16)17/h8-10,12,14,16-19H,3,6H2,1-2,4-5,7H3/t12-,14-,16+,17+,18-,19-,23-/m0/s1

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InChIKey

ZLWAKVSCBOOWRI-YFCBEHLESA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105379241)

[(3aS,4R,5S,5aS,8aR,9S,9aS)-5,8a-dimethyl-1-methylidene-9-(2-methylprop-2-enoyloxy)-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,7-b]furan-4-yl] 2-methylpropanoate

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Identifiers

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