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Chemical structure of Seneciphyllinine

GC37626

Seneciphyllinine

Also known as [(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

Seneciphyllinine, a pyrrolizidine alkaloid, is isolated from the roots of Gynura japonica

ChemicalCAS90341-45-0MW375.42FormulaC20H25NO6
CAS number
90341-45-0
Molecular weight
375.42
Formula
C20H25NO6
Solubility
Soluble in DMSO
InChIKey
CTCKXBIRQMSUIU-HPNKAZLSSA-N
Catalogue number
GC37626
Brand
GLPBIO
Computed properties PubChem CID 6441161 · XLogP 1.3 · TPSA 82.1 Ų · H-bond donors 0
XLogP
1.3
TPSA
82.1 Ų
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
2
Heavy atoms
27

SMILES C/C=C/1\CC(=C)[C@@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(C)OC(=O)C

Computed descriptors from PubChem (CID 6441161), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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