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(Q105032631)
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English
[(1R,2S,3R,5S)-2-[(S)-acetyloxy(phenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] acetate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
Acetylknightinol
1 reference
based on heuristic
inferred from SMILES
mass
331.17835828
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
[3-(Acetyloxy)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl](phenyl)methyl acetate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₉H₂₅NO₄
0 references
canonical SMILES
O=C(OC(C=1C=CC=CC1)C2C(OC(=O)C)CC3N(C)C2CC3)C
0 references
isomeric SMILES
CC(=O)O[C@H](c1ccccc1)[C@@H]1[C@H](OC(C)=O)C[C@@H]2CC[C@H]1N2C
0 references
found in taxon
Eucarpha strobilina
1 reference
stated in
Benzyl-2 tropanes et γ-pyranotropanes, alcaloïdes de Knightia strobilina
Identifiers
InChI
InChI=1S/C19H25NO4/c1-12(21)23-17-11-15-9-10-16(20(15)3)18(17)19(24-13(2)22)14-7-5-4-6-8-14/h4-8,15-19H,9-11H2,1-3H3/t15-,16+,17+,18-,19+/m0/s1
0 references
InChIKey
HREZYWBVKYGIRM-BRIYLRKRSA-N
0 references
PubChem CID
162949128
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HREZYWBVKYGIRM-BRIYLRKRSA-N
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