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(Q105230340)
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English
[(1S,3R,5R,6R,7R)-3,7-dihydroxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl] 2-methylbut-2-enoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(3,7-Dihydroxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl) 2-methylbut-2-enoate
1 reference
based on heuristic
inferred from SMILES
mass
255.147058152
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
[(1R,3R,5S,6S,7R)-3,7-dihydroxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl] (E)-2-methylbut-2-enoate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
[(1R,3R,5S,6S,7S)-3,7-dihydroxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl] (E)-2-methylbut-2-enoate
1 reference
based on heuristic
inferred from InChI
[(1S,3R,5R,6R,7R)-3,7-dihydroxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl] (Z)-2-methylbut-2-enoate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₃H₂₁NO₄
0 references
canonical SMILES
O=C(OC1C(O)C2N(C)C1CC(O)C2)C(=CC)C
0 references
isomeric SMILES
CC=C(C)C(=O)O[C@H]1[C@H](O)[C@@H]2C[C@@H](O)C[C@H]1N2C
0 references
found in taxon
Brugmansia arborea
1 reference
stated in
( - )-6β,7β-Dihydroxylittorine, a New Tropane Ester From the Leaves of a Peach-Flowered Form of Datura candida sens. Lat
Datura candida
1 reference
stated in
( - )-6β,7β-Dihydroxylittorine, a New Tropane Ester From the Leaves of a Peach-Flowered Form of Datura candida sens. Lat
Tura candida
1 reference
stated in
( - )-6β,7β-Dihydroxylittorine, a New Tropane Ester From the Leaves of a Peach-Flowered Form of Datura candida sens. Lat
Identifiers
InChI
InChI=1S/C13H21NO4/c1-4-7(2)13(17)18-12-10-6-8(15)5-9(11(12)16)14(10)3/h4,8-12,15-16H,5-6H2,1-3H3/t8-,9+,10-,11-,12-/m1/s1
0 references
InChIKey
QYQKPLMVSBIKQI-IYKVGLELSA-N
0 references
PubChem CID
162968179
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QYQKPLMVSBIKQI-IYKVGLELSA-N
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