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(Q105253986)
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English
Nb-Demethylalstophylline Oxindole
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
6'-acetyl-6-methoxy-1-methyl-4'-oxa-12'-azaspiro[indole-3,10'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-2-one
1 reference
based on heuristic
inferred from SMILES
mass
368.173607248
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1R,2S,7S,9R,10S)-6-acetyl-6'-methoxy-1'-methylspiro[4-oxa-12-azatricyclo[7.2.1.02,7]dodec-5-ene-10,3'-indole]-2'-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(1S,2R,7R,9S,10R)-6-acetyl-6'-methoxy-1'-methylspiro[4-oxa-12-azatricyclo[7.2.1.02,7]dodec-5-ene-10,3'-indole]-2'-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₁H₂₄N₂O₄
0 references
canonical SMILES
O=C(C1=COCC2C3NC(CC12)C4(C(=O)N(C5=CC(OC)=CC=C54)C)C3)C
0 references
isomeric SMILES
COc1ccc2c(c1)N(C)C(=O)[C@@]21C[C@@H]2N[C@H]1C[C@H]1C(C(C)=O)=COC[C@@H]21
0 references
found in taxon
Alstonia macrophylla
2 references
stated in
New indole alkaloids from Alstonia macrophylla
stated in
Alstoniaphyllines A-C, unusual nitrogenous derivatives from the bark of Alstonia macrophylla
Identifiers
InChI
InChI=1S/C21H24N2O4/c1-11(24)14-9-27-10-15-13(14)7-19-21(8-17(15)22-19)16-5-4-12(26-3)6-18(16)23(2)20(21)25/h4-6,9,13,15,17,19,22H,7-8,10H2,1-3H3/t13-,15+,17-,19-,21-/m0/s1
0 references
InChIKey
SIRGNISPBNTBGI-WSPVJSELSA-N
0 references
PubChem CID
15287083
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SIRGNISPBNTBGI-WSPVJSELSA-N
UniChem compound ID
34747173
1 reference
stated in
UniChem
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