(Q105330686)

English

[(3aR,4R,6aS,9aR,9bS)-6a-hydroperoxy-6,9-dimethyl-3-methylidene-2-oxo-4,7,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] (E)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(6a-hydroperoxy-6,9-dimethyl-3-methylidene-2-oxo-4,7,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

360.157288488 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₄O₆

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canonical SMILES

O=C(OC1C=C(C)C2(OO)CC=C(C)C2C3OC(=O)C(=C)C13)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=C(C)[C@]1(OO)CC=C(C)[C@H]21

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found in taxon

Calea jamaicensis

1 reference

stated in

Sesquiterpene lactones and other constituents from Calea prunifolia and C. Peckii

Calea trichotoma

1 reference

stated in

Sesquiterpene lactones and other constituents from Calea prunifolia and C. Peckii

Identifiers

InChI

InChI=1S/C20H24O6/c1-6-10(2)18(21)24-14-9-12(4)20(26-23)8-7-11(3)16(20)17-15(14)13(5)19(22)25-17/h6-7,9,14-17,23H,5,8H2,1-4H3/b10-6+/t14-,15-,16-,17+,20-/m1/s1

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InChIKey

XMEYPBMHVCPWNQ-UXVIRGOLSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XMEYPBMHVCPWNQ-UXVIRGOLSA-N

(Q105330686)

[(3aR,4R,6aS,9aR,9bS)-6a-hydroperoxy-6,9-dimethyl-3-methylidene-2-oxo-4,7,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] (E)-2-methylbut-2-enoate

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Identifiers

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