(Q105130562)

English

[(3aS,4R,5S,5aS,8aR,9S,9aS)-5,8a-dimethyl-4-(3-methylbutanoyloxy)-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

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

1 reference

based on heuristic

inferred from SMILES

mass

446.19406792 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₀O₈

0 references

canonical SMILES

O=C1OC2C(OC(=O)CC(C)C)C(C)C3C=CC(=O)C3(C)C(OC(=O)C4(OC4)C)C2C1=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)CC(C)C

0 references

found in taxon

Anisopappus pinnatifidus

1 reference

stated in

Pseudoguaianolides and other constituents from Anisopappus pinnatifidus and Antiphiona species

Identifiers

InChI

InChI=1S/C24H30O8/c1-11(2)9-16(26)30-18-12(3)14-7-8-15(25)24(14,6)20(32-22(28)23(5)10-29-23)17-13(4)21(27)31-19(17)18/h7-8,11-12,14,17-20H,4,9-10H2,1-3,5-6H3/t12-,14-,17+,18+,19-,20-,23-,24-/m0/s1

0 references

InChIKey

JKWXXTNYYLHPTN-BITCPJKNSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JKWXXTNYYLHPTN-BITCPJKNSA-N

(Q105130562)

[(3aS,4R,5S,5aS,8aR,9S,9aS)-5,8a-dimethyl-4-(3-methylbutanoyloxy)-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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