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(Q105211491)
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English
1-[(1R,12R,13S,18R)-3,20-dimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4,6,8,16-pentaen-17-yl]ethanone
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
1-[(12S,13R,18R)-3,20-dimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4,6,8,16-pentaen-17-yl]ethanone
1 reference
based on heuristic
inferred from SMILES
Alstonerin
1 reference
based on heuristic
inferred from SMILES
mass
336.183778008
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
1-[(1R,12R,13R,18R)-3,20-dimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4,6,8,16-pentaen-17-yl]ethanone
1 reference
based on heuristic
inferred from InChI
Alstonerine
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₂₄N₂O₂
0 references
canonical SMILES
O=C(C1=COCC2C1CC3C4=C(C=5C=CC=CC5N4C)CC2N3C)C
0 references
isomeric SMILES
CC(=O)C1=COC[C@H]2[C@H]1C[C@@H]1c3c(c4ccccc4n3C)C[C@H]2N1C
0 references
found in taxon
Alstonia muelleriana
1 reference
stated in
Alkaloids of Alstonia Muelleriana
Identifiers
InChI
InChI=1S/C21H24N2O2/c1-12(24)16-10-25-11-17-14(16)8-20-21-15(9-19(17)22(20)2)13-6-4-5-7-18(13)23(21)3/h4-7,10,14,17,19-20H,8-9,11H2,1-3H3/t14-,17-,19+,20+/m0/s1
0 references
InChIKey
PMIRJPWEIZTLEG-GIPAHHNCSA-N
0 references
PubChem CID
162909316
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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