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(Q105252326)
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English
(3aS,6R,6aS,9R,9aS,9bS)-6,6a,9-trihydroxy-6,9-dimethyl-3-methylidene-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
Sanchillin
1 reference
based on heuristic
inferred from SMILES
mass
280.13107374
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(3aS,6R,6aR,9R,9aS,9bS)-6,6a,9-trihydroxy-6,9-dimethyl-3-methylidene-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
1alpha,4beta,10beta-Trihydroxyguaia-2,11(13)-dien-12,6alpha-olide
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₀O₅
0 references
canonical SMILES
O=C1OC2C(C1=C)CCC(O)(C)C3(O)C=CC(O)(C)C23
0 references
isomeric SMILES
C=C1C(=O)O[C@H]2[C@H]1CC[C@@](C)(O)[C@]1(O)C=C[C@@](C)(O)[C@H]21
0 references
found in taxon
Artemisia gorgonum
1 reference
stated in
Sesquiterpene lactones from the endemic Cape Verdean Artemisia gorgonum
Artemisia rutifolia
1 reference
stated in
Sesquiterpene lactones from Artemisia rutifolia
Identifiers
InChI
InChI=1S/C15H20O5/c1-8-9-4-5-14(3,18)15(19)7-6-13(2,17)11(15)10(9)20-12(8)16/h6-7,9-11,17-19H,1,4-5H2,2-3H3/t9-,10-,11-,13+,14+,15-/m0/s1
0 references
InChIKey
SGHTVVJDLWGFLU-HFSUPIEXSA-N
0 references
PubChem CID
162987169
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SGHTVVJDLWGFLU-HFSUPIEXSA-N
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