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(Q105035222)
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(4aR,5S,8aS,9aS)-9a-hydroxy-3,4a,5-trimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1]benzofuran-2,8-dione
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(4aR,5S,9aR)-9a-hydroxy-3,4a,5-trimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1]benzofuran-2,8-dione
1 reference
based on heuristic
inferred from SMILES
Istanbulin-A
1 reference
based on heuristic
inferred from SMILES
mass
264.13615912
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(4aR,5S,8aS,9aR)-9a-hydroxy-3,4a,5-trimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1]benzofuran-2,8-dione
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(4aS,5R,8aS,9aS)-9a-hydroxy-3,4a,5-trimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1]benzofuran-2,8-dione
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
Istanbulin A
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₀O₄
0 references
canonical SMILES
O=C1OC2(O)C(=C1C)CC3(C)C(C(=O)CCC3C)C2
0 references
isomeric SMILES
CC1=C2C[C@]3(C)[C@@H](C)CCC(=O)[C@H]3C[C@]2(O)OC1=O
0 references
found in taxon
Smyrnium olusatrum
1 reference
stated in
Polyacetylenverbindungen, 220. Über die Inhaltsstoffe vonSmyrnium olusatrum L.
Identifiers
InChI
InChI=1S/C15H20O4/c1-8-4-5-12(16)11-7-15(18)10(6-14(8,11)3)9(2)13(17)19-15/h8,11,18H,4-7H2,1-3H3/t8-,11+,14+,15-/m0/s1
0 references
InChIKey
HYBIDSYXKTYHCM-ATLFLLQCSA-N
0 references
PubChem CID
162996323
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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