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(Q72482699)
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Humantenine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
gelsemine-type alkaloid
1 reference
based on heuristic
inferred from SMILES
mass
354.19434269199996
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1'R,3S,4'S,7'Z,8'R,9'S)-7'-ethylidene-1-methoxy-5'-methyl-11'-oxa-5'-azaspiro[indole-3,2'-tricyclo[6.3.1.0⁴,⁹]dodecan]-2-one
1 reference
based on heuristic
inferred from InChI
(1R,2S,4S,7E,8S,9R)-7-ethylidene-1'-methoxy-5-methylspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-2'-one
1 reference
based on heuristic
inferred from InChI
(19E)-Humantenine
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₂₆N₂O₃
0 references
canonical SMILES
CC=C1CN(C)C2CC3(C(=O)N(OC)c4ccccc43)C3CC1C2CO3
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C/C=C1\CN(C)[C@H]2C[C@@]3(C(=O)N(OC)c4ccccc43)[C@@H]3C[C@H]1[C@@H]2CO3
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C21H26N2O3/c1-4-13-11-22(2)18-10-21(19-9-14(13)15(18)12-26-19)16-7-5-6-8-17(16)23(25-3)20(21)24/h4-8,14-15,18-19H,9-12H2,1-3H3/b13-4+/t14-,15+,18+,19+,21+/m1/s1
0 references
InChIKey
SJKRPUOXUNOPOP-HEXYGZIHSA-N
1 reference
based on heuristic
inferred from InChI
CAS Registry Number
82375-29-9
0 references
PubChem CID
6441960
1 reference
matched by identifier from
InChIKey
InChIKey
SJKRPUOXUNOPOP-HEXYGZIHSA-N
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