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(Q105369936)
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English
3aalpha,4,4aalpha,5,6,7,8,8a,9,9aalpha-Decahydro-5alpha-hydroxy-5,8abeta-dimethyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
5-Hydroxy-5,8a-dimethyl-3-methylidene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
1 reference
based on heuristic
inferred from SMILES
mass
250.156894564
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(3aR,4aR,5S,8aR,9aR)-5-hydroxy-5,8a-dimethyl-3-methylidene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(3aS,4aR,5R,8aR,9aS)-5-hydroxy-5,8a-dimethyl-3-methylidene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(3aR,4aS,5S,8aR,9aR)-5-hydroxy-5,8a-dimethyl-3-methylidene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(3aR,4aS,5S,8aS,9aR)-5-hydroxy-5,8a-dimethyl-3-methylidene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₂O₃
0 references
canonical SMILES
O=C1OC2CC3(C)CCCC(O)(C)C3CC2C1=C
0 references
isomeric SMILES
C=C1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@@](C)(O)[C@@H]3C[C@H]12
0 references
found in taxon
Flourensia riparia
1 reference
stated in
Constituents of two Flourensia species
Identifiers
InChI
InChI=1S/C15H22O3/c1-9-10-7-12-14(2,5-4-6-15(12,3)17)8-11(10)18-13(9)16/h10-12,17H,1,4-8H2,2-3H3/t10-,11-,12-,14-,15-/m1/s1
0 references
InChIKey
ZALRIXVWAYTYQJ-URFZWBKFSA-N
0 references
PubChem CID
10060674
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZALRIXVWAYTYQJ-URFZWBKFSA-N
UniChem compound ID
34672276
1 reference
stated in
UniChem
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