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(Q105137364)
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English
3beta-Tigloyloxy-6beta-acetoxytropane
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
tropane alkaloids
0 references
mass
281.162708216
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
chalcostrobamine
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
3α-benzoyloxy-2α-hydroxybenzyltropane
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₃NO₄
0 references
canonical SMILES
O=C(OC1CC2N(C)C(C1)C(OC(=O)C)C2)C(=CC)C
0 references
isomeric SMILES
C/C=C(\C)C(=O)O[C@@H]1C[C@H]2[C@H](OC(C)=O)C[C@@H](C1)N2C
0 references
found in taxon
Datura stramonium
1 reference
stated in
Nine new tropane alkaloids from Datura stramonium L. identified by GC/MS
Identifiers
InChI
InChI=1S/C15H23NO4/c1-5-9(2)15(18)20-12-6-11-7-14(19-10(3)17)13(8-12)16(11)4/h5,11-14H,6-8H2,1-4H3/b9-5+/t11-,12+,13+,14-/m1/s1
0 references
InChIKey
JZEPGIHACXZLFL-NYKPPTNSSA-N
0 references
PubChem CID
91750082
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JZEPGIHACXZLFL-NYKPPTNSSA-N
UniChem compound ID
100522301
1 reference
stated in
UniChem
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