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(Q104394461)
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Rankinidine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
7'-ethylidene-1-methoxy-11'-oxa-5'-azaspiro[indole-3,2'-tricyclo[6.3.1.0⁴,⁹]dodecan]-2-one
1 reference
based on heuristic
inferred from SMILES
(7'E)-7'-ethylidene-1-methoxy-11'-oxa-5'-azaspiro[indole-3,2'-tricyclo[6.3.1.0⁴,⁹]dodecan]-2-one
1 reference
based on heuristic
inferred from SMILES
mass
340.178692628
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1R,2S,4S,8R,9S)-7-ethylidene-1'-methoxyspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-2'-one
1 reference
based on heuristic
inferred from InChI
(1S,2S,4R,7Z,8S,9R)-7-ethylidene-1'-methoxyspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-2'-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₂₄N₂O₃
0 references
canonical SMILES
O=C1N(OC)C=2C=CC=CC2C13CC4NCC(=CC)C5CC3OCC45
0 references
isomeric SMILES
C/C=C1\CN[C@H]2C[C@@]3(C(=O)N(OC)c4ccccc43)[C@H]3C[C@@H]1[C@@H]2CO3
0 references
found in taxon
Gelsemium elegans
2 references
stated in
New humantenine-type alkaloids from Gelsemium elegans
stated in
Geleganidines A-C, Unusual Monoterpenoid Indole Alkaloids from Gelsemium elegans
Gelsemium rankinii
2 references
stated in
Rankinidine, a new indole alkaloid from Gelsemium rankinii
stated in
New oxindole and indole alkaloids from Gelsemium rankinii
Identifiers
InChI
InChI=1S/C20H24N2O3/c1-3-12-10-21-16-9-20(18-8-13(12)14(16)11-25-18)15-6-4-5-7-17(15)22(24-2)19(20)23/h3-7,13-14,16,18,21H,8-11H2,1-2H3/b12-3+/t13-,14-,16-,18+,20-/m0/s1
0 references
InChIKey
ZXRGGMATGWCUBP-MAXSUOQJSA-N
0 references
PubChem CID
101855843
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
96600402
1 reference
stated in
UniChem
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