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Chemical structure of Senecionine acetate

GC61274

Senecionine acetate

Also known as [(1R,4Z,6R,7R,17R)-4-ethylidene-6,7-dimethyl-3,8-dioxo-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-en-7-yl] acetate

Senecionine acetate (O-Acetylsenecionine) is a pyrrolizidine alkaloid

ChemicalCAS126642-77-1MW377.43FormulaC20H27NO6
CAS number
126642-77-1
Molecular weight
377.43
Formula
C20H27NO6
InChIKey
IVYWMLHULLVCRQ-ORELLFKUSA-N
Catalogue number
GC61274
Brand
GLPBIO
Computed properties PubChem CID 162642238 · XLogP 1.7 · TPSA 82.1 Ų · H-bond donors 0
XLogP
1.7
TPSA
82.1 Ų
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
2
Heavy atoms
27

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

Computed descriptors from PubChem (CID 162642238), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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