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(Q104912138)
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English
methyl (1R,11R,12E,17S)-12-ethylidene-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carboxylate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
akuammicine (unspec.)
1 reference
based on heuristic
inferred from SMILES
mass
322.168127944
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
methyl (1R,11S,12Z,17S)-12-ethylidene-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carboxylate
1 reference
based on heuristic
inferred from InChI
akuammicine
1 reference
based on heuristic
inferred from InChI
CID 441976
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₂₂N₂O₂
0 references
canonical SMILES
O=C(OC)C1=C2NC=3C=CC=CC3C24CCN5CC(=CC)C1CC54
0 references
isomeric SMILES
C/C=C1/CN2CC[C@]34C(=C(C(=O)OC)[C@@H]1C[C@H]23)Nc1ccccc14
0 references
found in taxon
Tabernaemontana divaricata
1 reference
stated in
Indole alkaloids from three species of the Ervatamia genus: E. officinalis, E. divaricata, and E. divaricata Gouyahua.
Vinca herbacea
1 reference
stated in
Alkaloids of Vinca Species V: Structure Elucidation of Herbadine, an Alkaloid Isolated from Vinca Libanotica
Alstonia rostrata
1 reference
stated in
Terpenoid indole alkaloids from Winchia calophylla
Identifiers
InChI
InChI=1S/C20H22N2O2/c1-3-12-11-22-9-8-20-14-6-4-5-7-15(14)21-18(20)17(19(23)24-2)13(12)10-16(20)22/h3-7,13,16,21H,8-11H2,1-2H3/b12-3-/t13-,16+,20-/m1/s1
0 references
InChIKey
AGZMFTKKLPHOMT-GUYVCDPPSA-N
0 references
PubChem CID
162899063
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
AGZMFTKKLPHOMT-GUYVCDPPSA-N
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