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(Q105150152)
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English
gelsedine
chemical compound
(2S,4S,6R,7R,8S)-6-ethyl-1'-methoxyspiro[10-oxa-5-azatricyclo[5.3.1.04,8]undecane-2,3'-indole]-2'-one
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Statements
instance of
group of stereoisomers
0 references
subclass of
gelsedine-type alkaloid
1 reference
inferred from
gelsedine-type alkaloid
chemical structure
Gelsedine.svg
450 × 440; 16 KB
0 references
mass
328.178692628
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₂₄N₂O₃
0 references
canonical SMILES
O=C1N(OC)C=2C=CC=CC2C13CC4NC(CC)C5CC3OCC45
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isomeric SMILES
CC[C@H]1N[C@H]2C[C@@]3(C(=O)N(OC)c4ccccc43)C3C[C@@H]1[C@@H]2CO3
0 references
found in taxon
Gelsemium sempervirens
1 reference
stated in
Cytotoxic steroids of Gelsemium sempervirens
Identifiers
InChI
InChI=1S/C19H24N2O3/c1-3-14-11-8-17-19(9-15(20-14)12(11)10-24-17)13-6-4-5-7-16(13)21(23-2)18(19)22/h4-7,11-12,14-15,17,20H,3,8-10H2,1-2H3/t11-,12+,14-,15+,17?,19+/m1/s1
0 references
InChIKey
LDBVYQSHIPCQPT-KZSGOEHMSA-N
0 references
PubChem CID
101297599
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
LDBVYQSHIPCQPT-KZSGOEHMSA-N
UniChem compound ID
96885481
1 reference
stated in
UniChem
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