(Q105292462)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

(1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl) 2-methylbutanoate

1 reference

1 reference

348.193673996 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₈O₅

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canonical SMILES

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

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isomeric SMILES

CC[C@@H](C)C(=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 Centipedaminima: Sesquiterpenes of Potential Anti-allergy Activity

Helenium microcephalum

1 reference

stated in

Antitumor agents XXXVI: Structural elucidation of sesquiterpene lactones microhelenins-A, B, and C, microlenin acetate, and plenolin from Helenium microcephalum

Identifiers

InChI

InChI=1S/C20H28O5/c1-6-10(2)18(22)25-17-16-12(4)19(23)24-14(16)9-11(3)13-7-8-15(21)20(13,17)5/h7-8,10-14,16-17H,6,9H2,1-5H3/t10-,11-,12+,13+,14-,16-,17+,20+/m1/s1

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InChIKey

VSRLMYQKLUPERI-TWERYOGSSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VSRLMYQKLUPERI-TWERYOGSSA-N

(Q105292462)

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

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