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Sarracine N-oxide

CAT: 0931-TN4952-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TN4952-01Size:1 mg
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CAS Number
19038-27-8
Target
Others
Related Pathways
Others
Bioactivity
Sarracine N-oxide is a natural product of Senecio, Asteraceae. The catalog number is TN4952 and the CAS number is 19038-27-8. Sarracine N-oxide can be used as a reference standard.
Smiles
O=N12[C@@]([C@H](OC(/C(=C\C)/C)=O)CC1)([C@@H](COC(/C(=C\C)/CO)=O)CC2)[H]
Molecular Formula
C18H27NO6
Molecular Weight
353.41
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Sarracine N-oxide

Sarracine N-oxide has been reported in Senecio bollei with data available.

CAS Number19038-27-8
PubChem CID5799962
IUPAC Name[7-[(E)-2-methylbut-2-enoyl]oxy-4-oxido-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-1-yl]methyl (E)-2-(hydroxymethyl)but-2-enoate
Molecular FormulaC18H27NO6
Molecular Weight353.4
XLogP1.3
Topological Polar Surface Area90.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count25
Formal Charge0
Complexity584
SMILES
C/C=C(\C)/C(=O)OC1CC[N+]2(C1C(CC2)COC(=O)/C(=C/C)/CO)[O-]
InChI
InChI=1S/C18H27NO6/c1-4-12(3)17(21)25-15-7-9-19(23)8-6-14(16(15)19)11-24-18(22)13(5-2)10-20/h4-5,14-16,20H,6-11H2,1-3H3/b12-4+,13-5+
InChIKey
MUIDVKVQYZTVRF-QGVJZHQLSA-N
Chemical Structure
2D Structure
2D structure of Sarracine N-oxide
CAS: 19038-27-8
CID: 5799962
Formula: C18H27NO6
MW: 353.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight353.4
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass353.18383758
Monoisotopic Mass353.18383758
Topological Polar Surface Area90.9 Ų
Heavy Atom Count25
Formal Charge0
Complexity584
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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