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(Q105020526)
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English
1-[(1R,9R,12R,19R)-6-hydroxy-12-(2-hydroxyethyl)-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-trien-8-yl]ethanone
chemical compound
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Statements
instance of
type of chemical entity
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subclass of
1-[6-Hydroxy-12-(2-hydroxyethyl)-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-trien-8-yl]ethanone
1 reference
based on heuristic
inferred from SMILES
mass
356.209992756
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₈N₂O₃
0 references
canonical SMILES
O=C(N1C=2C(O)=CC=CC2C34CCN5CCCC(CCO)(CCC13)C54)C
0 references
isomeric SMILES
CC(=O)N1c2c(O)cccc2[C@]23CCN4CCC[C@](CCO)(CC[C@@H]12)[C@@H]43
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found in taxon
Aspidosperma marcgravianum
1 reference
stated in
Aspidosperma de Guyane: Alcaloïdes de Aspidosperma marcgravianum
Aspidosperma excelsum
1 reference
stated in
Aspidosperma de Guyane: Alcaloïdes de Aspidosperma marcgravianum
Identifiers
InChI
InChI=1S/C21H28N2O3/c1-14(25)23-17-6-8-20(10-13-24)7-3-11-22-12-9-21(17,19(20)22)15-4-2-5-16(26)18(15)23/h2,4-5,17,19,24,26H,3,6-13H2,1H3/t17-,19-,20-,21-/m1/s1
0 references
InChIKey
GUUBDRGMQKDEAV-CWJKEVGVSA-N
0 references
PubChem CID
162956250
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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