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(Q104962514)
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English
5-(9-Butyl-4-methyl-2,14-dioxa-10-azapentacyclo[6.5.1.01,5.06,10.09,13]tetradecan-3-ylidene)-3-(hydroxymethyl)-4-methoxyfuran-2-one
group of stereoisomers with the chemical formula C₂₂H₂₉NO₆
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Statements
instance of
group of stereoisomers
0 references
subclass of
pyrrolizidine alkaloid
1 reference
inferred from
pyrrolizidine alkaloid
tropane alkaloids
1 reference
inferred from
tropane alkaloids
mass
403.1994876479999
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₂H₂₉NO₆
0 references
canonical SMILES
O=C1OC(C(OC)=C1CO)=C2OC34OC5CC(N6CCC3C65CCCC)C4C2C
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Identifiers
InChI
InChI=1S/C22H29NO6/c1-4-5-7-21-14-6-8-23(21)13-9-15(21)28-22(14)16(13)11(2)17(29-22)19-18(26-3)12(10-24)20(25)27-19/h11,13-16,24H,4-10H2,1-3H3
0 references
InChIKey
CKLSVRXBFWXLDE-UHFFFAOYSA-N
0 references
PubChem CID
162966107
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
CKLSVRXBFWXLDE-UHFFFAOYSA-N
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