(Q105350661)

English

(3aR,4S,5E,9R,10E,11aR)-4,9-dihydroxy-6,10-dimethyl-3-methylidene-3a,4,7,8,9,11a-hexahydrocyclodeca[b]furan-2-one

chemical compound

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instance of

type of chemical entity

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subclass of

4,9-Dihydroxy-6,10-dimethyl-3-methylidene-3a,4,7,8,9,11a-hexahydrocyclodeca[b]furan-2-one

1 reference

based on heuristic

inferred from SMILES

mass

264.13615912 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3aS,4S,5E,9R,10Z,11aR)-4,9-dihydroxy-6,10-dimethyl-3-methylidene-3a,4,7,8,9,11a-hexahydrocyclodeca[b]furan-2-one

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

2 references

inferred from InChIKey

1 reference

1 reference

1 reference

(3aS,4R,5E,9R,10Z,11aS)-4,9-dihydroxy-6,10-dimethyl-3-methylidene-3a,4,7,8,9,11a-hexahydrocyclodeca[b]furan-2-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₅H₂₀O₄

0 references

canonical SMILES

O=C1OC2C=C(C)C(O)CCC(=CC(O)C2C1=C)C

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isomeric SMILES

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

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found in taxon

Artemisia arbuscula

2 references

stated in

Badgerin, a new germacranolide from Artemisia arbuscula subspecies arbuscula

stated in

Sesquiterpene lactones of Artemisia arbuscula and A. tridentata

Artemisia tridentata

1 reference

stated in

Sesquiterpene lactones of Artemisia arbuscula and A. tridentata

Cassinia subtropica

1 reference

stated in

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

Gonospermum elegans

1 reference

stated in

Sesquiterpenoid derivatives from Gonospermum elegans and their cytotoxic activity for HL-60 human promyelocytic cells.

Tanacetum vulgare

1 reference

stated in

Crispolide, an unusual hydroperoxysesquiterpene lactone from Tanacetum vulgare

Identifiers

InChI

InChI=1S/C15H20O4/c1-8-4-5-11(16)9(2)7-13-14(12(17)6-8)10(3)15(18)19-13/h6-7,11-14,16-17H,3-5H2,1-2H3/b8-6+,9-7+/t11-,12+,13-,14-/m1/s1

0 references

InChIKey

YMNZWKHEJQGPIA-QTXAFKBZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YMNZWKHEJQGPIA-QTXAFKBZSA-N

(Q105350661)

(3aR,4S,5E,9R,10E,11aR)-4,9-dihydroxy-6,10-dimethyl-3-methylidene-3a,4,7,8,9,11a-hexahydrocyclodeca[b]furan-2-one

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Identifiers

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