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Senkirkin (Standard)

CAT: 0804-HY-122509RSize: 1 EachDry Ice: NoHazardous: No
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Description
Senkirkin (Standard) is the analytical standard of Senkirkin. This product is intended for research and analytical applications. Senkirkin, a pyrrolizidine alkaloid, occured in the aerial parts of the medicinal plant Tussilago farfara, could induce chromosome damage in human lymphocytes[1].
CAS Number
2318-18-5
Product Name Alternative
Senkirkine (Standard) ; Renardin (Standard)
UNSPSC
12352005
Target
Others; Reference Standards
Type
Reference Standards
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/senkirkin-standard.html
Smiles
O=C(/C(C[C@@H](C)[C@]1(O)C)=C\C)O[C@](C2=O)([H])CCN(C)C/C=C2/COC1=O
Molecular Formula
C19H27NO6
Molecular Weight
365.42
References & Citations
[1]C Kraus, G Abel, et al. [Pyrrolizidine Alkaloids With Chromosome-Damaging Effects on Human Lymphocytes in Vitro]. Planta Med. 1985 Apr; (2) :89-91.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Senkirkine

Senkirkine is a macrolide.

CAS Number2318-18-5
PubChem CID5281752
IUPAC Name(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
Molecular FormulaC19H27NO6
Molecular Weight365.4
XLogP1.4
Topological Polar Surface Area93.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count0
Heavy Atom Count26
Formal Charge0
Complexity652
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
InChI
InChI=1S/C19H27NO6/c1-5-13-10-12(2)19(3,24)18(23)25-11-14-6-8-20(4)9-7-15(16(14)21)26-17(13)22/h5-6,12,15,24H,7-11H2,1-4H3/b13-5-,14-6-/t12-,15-,19-/m1/s1
InChIKey
HPDHKHMHQGCNPE-QLJRNOHWSA-N
Chemical Structure
2D Structure
2D structure of Senkirkine
CAS: 2318-18-5
CID: 5281752
Formula: C19H27NO6
MW: 365.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight365.4
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count0
Exact Mass365.18383758
Monoisotopic Mass365.18383758
Topological Polar Surface Area93.1 Ų
Heavy Atom Count26
Formal Charge0
Complexity652
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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