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Seneciphyllinine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
375.16818751999995
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
[(1R,7S,17R)-4-ethylidene-7-methyl-6-methylidene-3,8-dioxo-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-en-7-yl] acetate
1 reference
based on heuristic
inferred from InChI
(1R,4E,7R,17R)-4-ethylidene-7-methyl-6-methylidene-3,8-dioxo-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-en-7-yl acetate
1 reference
based on heuristic
inferred from InChI
Acetylseneciphylline
1 reference
based on heuristic
inferred from InChI
CID 15120074
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₂₅NO₆
0 references
canonical SMILES
C=C1CC(=CC)C(=O)OC2CCN3CC=C(COC(=O)C1(C)OC(C)=O)C23
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C=C1C/C(=C\C)C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@]1(C)OC(C)=O)[C@H]23
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C20H25NO6/c1-5-14-10-12(2)20(4,27-13(3)22)19(24)25-11-15-6-8-21-9-7-16(17(15)21)26-18(14)23/h5-6,16-17H,2,7-11H2,1,3-4H3/b14-5+/t16-,17-,20-/m1/s1
0 references
InChIKey
CTCKXBIRQMSUIU-HPNKAZLSSA-N
1 reference
based on heuristic
inferred from InChI
CAS Registry Number
90341-45-0
0 references
PubChem CID
6441161
1 reference
matched by identifier from
InChIKey
InChIKey
CTCKXBIRQMSUIU-HPNKAZLSSA-N
DSSTox substance ID
DTXSID801016581
1 reference
matched by identifier from
InChIKey
InChIKey
CTCKXBIRQMSUIU-HPNKAZLSSA-N
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