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Chemical structure of Senkirkin

GC26797

Senkirkin

Also known as (1R,4Z,6R,7R,11Z)-4-ethylidene-7-hydroxy-6,7,14-trimethyl-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-3,8,17-trione

Senkirkin, a pyrrolizidine alkaloid, occured in the aerial parts of the medicinal plant Tussilago farfara, could induce chromosome damage in human lymphocytes

ChemicalCAS2318-18-5MW365.42FormulaC19H27NO6
CAS number
2318-18-5
Molecular weight
365.42
Formula
C19H27NO6
InChIKey
HPDHKHMHQGCNPE-QLJRNOHWSA-N
Catalogue number
GC26797
Brand
GLPBIO
Computed properties PubChem CID 5281752 · XLogP 1.4 · TPSA 93.1 Ų · H-bond donors 1
XLogP
1.4
TPSA
93.1 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
0
Heavy atoms
26

SMILES C/C=C\1/C[C@H]([C@@](C(=O)OC/C/2=C/CN(CC[C@H](C2=O)OC1=O)C)(C)O)C

Computed descriptors from PubChem (CID 5281752), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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