(Q105313095)

English

[(1S,3aR,5R,5aR,8aR,9S,9aS)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] 3-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

pseudoguaiane sesquiterpenoid

1 reference

based on heuristic

inferred from SMILES

mass

346.178023932 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,3aR,5R,5aR,8aR,9R,9aR)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] 3-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

1 reference

C₂₀H₂₆O₅

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canonical SMILES

O=C(OC1C2C(OC(=O)C2C)CC(C)C3C=CC(=O)C13C)C=C(C)C

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isomeric SMILES

CC(C)=CC(=O)O[C@H]1[C@H]2[C@H](C)C(=O)O[C@@H]2C[C@@H](C)[C@@H]2C=CC(=O)[C@@]12C

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found in taxon

Centipeda minima

1 reference

stated in

Biologically active constituents of Centipeda minima: isolation of a new plenolin ester and the antiallergy activity of sesquiterpene lactones

Identifiers

InChI

InChI=1S/C20H26O5/c1-10(2)8-16(22)25-18-17-12(4)19(23)24-14(17)9-11(3)13-6-7-15(21)20(13,18)5/h6-8,11-14,17-18H,9H2,1-5H3/t11-,12+,13+,14-,17+,18+,20+/m1/s1

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InChIKey

WUJIVXGLPLDVMY-FEDRKSDSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WUJIVXGLPLDVMY-FEDRKSDSSA-N

1 reference

(Q105313095)

[(1S,3aR,5R,5aR,8aR,9S,9aS)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] 3-methylbut-2-enoate

Statements

Identifiers

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