(Q105261205)

English

(3aS,4R,5E,9R,11aS)-9-hydroperoxy-4-hydroxy-6-methyl-3,10-dimethylidene-4,7,8,9,11,11a-hexahydro-3aH-cyclodeca[b]furan-2-one

chemical compound

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instance of

type of chemical entity

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subclass of

9-hydroperoxy-4-hydroxy-6-methyl-3,10-dimethylidene-4,7,8,9,11,11a-hexahydro-3aH-cyclodeca[b]furan-2-one

1 reference

based on heuristic

inferred from SMILES

mass

280.13107374 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3aS,4R,5E,9S,11aS)-9-hydroperoxy-4-hydroxy-6-methyl-3,10-dimethylidene-4,7,8,9,11,11a-hexahydro-3aH-cyclodeca[b]furan-2-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₅H₂₀O₅

0 references

canonical SMILES

O=C1OC2CC(=C)C(OO)CCC(=CC(O)C2C1=C)C

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isomeric SMILES

C=C1C(=O)O[C@H]2CC(=C)[C@H](OO)CC/C(C)=C/[C@@H](O)[C@H]12

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found in taxon

Cassinia subtropica

1 reference

stated in

Sesquiterpene lactones and other constituents from Cassinia, actinobole and an axeton species

Mikania goyazensis

1 reference

stated in

A dimeric germacranolide and other sesquiterpene lactones from Mikania species

Mikania pohlii

1 reference

stated in

A dimeric germacranolide and other sesquiterpene lactones from Mikania species

Schistostephium crataegifolium

1 reference

stated in

Sesquiterpene lactones and other constituents from Schistostephium species

Schistostephium heptalobum

1 reference

stated in

Sesquiterpene lactones and other constituents from Schistostephium species

Ursinia abrotanifolia

1 reference

stated in

Sesquiterpene lactones and other constituents from Ursinia species

Identifiers

InChI

InChI=1S/C15H20O5/c1-8-4-5-12(20-18)9(2)7-13-14(11(16)6-8)10(3)15(17)19-13/h6,11-14,16,18H,2-5,7H2,1H3/b8-6+/t11-,12-,13+,14+/m1/s1

0 references

InChIKey

SUOIJKKBQZQUME-RFPYWGSLSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SUOIJKKBQZQUME-RFPYWGSLSA-N

(Q105261205)

(3aS,4R,5E,9R,11aS)-9-hydroperoxy-4-hydroxy-6-methyl-3,10-dimethylidene-4,7,8,9,11,11a-hexahydro-3aH-cyclodeca[b]furan-2-one

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Identifiers

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