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(Q104915380)
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English
(3aR,4S,9aS,9bR)-4-hydroxy-6,9-dimethyl-3-methylidene-3a,4,5,7,9a,9b-hexahydroazuleno[4,5-b]furan-2-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
4-hydroxy-6,9-dimethyl-3-methylidene-3aH,4H,5H,7H,9aH,9bH-azuleno[4,5-b]furan-2-one
1 reference
based on heuristic
inferred from SMILES
mass
246.125594436
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(3aS,4S,9aS,9bR)-4-hydroxy-6,9-dimethyl-3-methylidene-3a,4,5,7,9a,9b-hexahydroazuleno[4,5-b]furan-2-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(3aR)-2,3,3abeta,4,5,7,9abeta,9balpha-Octahydro-6,9-dimethyl-3-methylene-4alpha-hydroxyazuleno[4,5-b]furan-2-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₅H₁₈O₃
0 references
canonical SMILES
O=C1OC2C3C(=CCC3=C(C)CC(O)C2C1=C)C
0 references
isomeric SMILES
C=C1C(=O)O[C@@H]2[C@H]3C(C)=CCC3=C(C)C[C@H](O)[C@@H]12
0 references
found in taxon
Picradeniopsis oppositifolia
1 reference
stated in
Three guaianolides from Bahia oppositifolia
Stevia myriadenia
1 reference
stated in
Sesquiterpenes, guaianolides and diterpenes from Stevia myriadenia
Identifiers
InChI
InChI=1S/C15H18O3/c1-7-4-5-10-8(2)6-11(16)13-9(3)15(17)18-14(13)12(7)10/h4,11-14,16H,3,5-6H2,1-2H3/t11-,12-,13+,14+/m0/s1
0 references
InChIKey
ANSNHOYHRRPFIU-IGQOVBAYSA-N
0 references
PubChem CID
14829040
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ANSNHOYHRRPFIU-IGQOVBAYSA-N
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