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(Q76154901)
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English
methyl (2R)-2-[(2S,3R,12bS)-3-ethenyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-hydroxypropanoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
Sitsirikine
1 reference
based on heuristic
inferred from SMILES
methyl (2R)-2-[(2S,12bS)-3-ethenyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-hydroxypropanoate
1 reference
based on heuristic
inferred from SMILES
mass
354.194342692
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
methyl (2S)-2-[(2S,3R,12bS)-3-ethenyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-hydroxypropanoate
1 reference
based on heuristic
inferred from InChI
methyl (2R)-2-[(2R,3R,12bS)-3-ethenyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-hydroxypropanoate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₂₆N₂O₃
0 references
canonical SMILES
O=C(OC)C(CO)C1CC2C=3NC=4C=CC=CC4C3CCN2CC1C=C
0 references
isomeric SMILES
COC(=O)[C@@H](CO)[C@H]1C[C@H]2C3=C(CCN2C[C@@H]1C=C)C4=CC=CC=C4N3
0 references
found in taxon
Alstonia angustifolia
1 reference
stated in
Alkaloids from Alstonia angustifolia
Strychnos pungens
2 references
stated in
Alkaloids from Strychnos pungens
stated in
THE STRYCHNOS ALKALOIDS
Alstonia balansae
1 reference
stated in
Alkaloids from alstonia undulifolia
Rauvolfia caffra
1 reference
stated in
Stem bark alkaloids of Rauvolfia caffra
Identifiers
InChI
InChI=1S/C21H26N2O3/c1-3-13-11-23-9-8-15-14-6-4-5-7-18(14)22-20(15)19(23)10-16(13)17(12-24)21(25)26-2/h3-7,13,16-17,19,22,24H,1,8-12H2,2H3/t13-,16-,17-,19-/m0/s1
0 references
InChIKey
JGKCGXVOATXMRM-UHEFJODHSA-N
0 references
PubChem CID
3050539
1 reference
matched by identifier from
InChIKey
InChIKey
JGKCGXVOATXMRM-UHEFJODHSA-N
UniChem compound ID
44675866
1 reference
stated in
UniChem
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