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English
Pandoline
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
aspidospermine / aspidofractine / kopsane alkaloid
0 references
mass
354.194342692
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
2,3-Didehydro-7-ethyl-7beta-hydroxy-20,21-dinoraspidospermidine-3-carboxylic acid methyl ester
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₂₆N₂O₃
0 references
canonical SMILES
O=C(OC)C1=C2NC=3C=CC=CC3C24CCN5CC(O)(CC)CC(C1)C54
0 references
isomeric SMILES
CC[C@@]1(O)C[C@@H]2CC(C(=O)OC)=C3Nc4ccccc4[C@]34CCN(C1)[C@H]24
0 references
found in taxon
Tabernaemontana pandacaqui
2 references
stated in
Etude Botanique et Chimique Comparee de Quatre Especes Souvent Confondues Sous le Nom d'Ervatamia orientalis (Apocynacees)
stated in
Tabernaemontana L. (Apocynaceae): A review of its taxonomy, phytochemistry, ethnobotany and pharmacology
Tabernaemontana heterophylla
1 reference
stated in
Determination of Structures by 1H NMR at 400 MHz: Alkaloids of Stenosolen heterophyllus.
Tabernaemontana citrifolia
1 reference
stated in
Contribution à l'Étude des Tabemaemontanées Américaines, VI. Alcaloïdes des Feuilles de Tabernaemontana citrifolia
Tabernaemontana calcarea
1 reference
stated in
Alcaloïdes du Pandaca calcarea et Pandaca debrayi
Tabernaemontana debrayi
2 references
stated in
Alcaloïdes du Pandaca calcarea et Pandaca debrayi
stated in
Tabernaemontana L. (Apocynaceae): A review of its taxonomy, phytochemistry, ethnobotany and pharmacology
Tabernaemontana orientalis
1 reference
stated in
Tabernaemontana L. (Apocynaceae): A review of its taxonomy, phytochemistry, ethnobotany and pharmacology
Identifiers
InChI
InChI=1S/C21H26N2O3/c1-3-20(25)11-13-10-14(19(24)26-2)17-21(8-9-23(12-20)18(13)21)15-6-4-5-7-16(15)22-17/h4-7,13,18,22,25H,3,8-12H2,1-2H3/t13-,18+,20+,21+/m0/s1
0 references
InChIKey
CPNXQIOMUYAVKQ-ODHPHVRJSA-N
0 references
PubChem CID
21589059
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
CPNXQIOMUYAVKQ-ODHPHVRJSA-N
UniChem compound ID
29639421
1 reference
stated in
UniChem
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