Koumine N-oxide

For Research Use Only.
Category
Alkaloids
Cat.No.
NP0109
CAS
113900-75-7
Product Name
Koumine N-oxide
Structure

Product Details

Description
Koumine N-oxide is an alkaloid compound found in the herbs of Gelsemium elegans.
Synonyms
Koumine N-oxide;6,4-(Epoxymethano)-3,11b-methano-11bH-pyrido[4,3-c]carbazole, 11c-ethenyl-1,2,3,4,4a,5,6,11c-octahydro-2-methyl-, 2-oxide, (3S,4S,4aR,6R,11bS,11cS)-
IUPAC Name
(1R,10S,12S,13S,15S,16R,17S)-15-ethenyl-13-methyl-13-oxido-19-oxa-3-aza-13-azoniahexacyclo[14.3.1.02,10.04,9.010,15.012,17]icosa-2,4,6,8-tetraene
Molecular Weight
322.4
Molecular Formula
C20H22N2O2
Canonical SMILES
C[N+]1(CC2(C3CC4C5=NC6=CC=CC=C6C52CC1C3CO4)C=C)[O-]
InChI
InChI=1S/C20H22N2O2/c1-3-19-11-22(2,23)16-9-20(19)13-6-4-5-7-15(13)21-18(20)17-8-14(19)12(16)10-24-17/h3-7,12,14,16-17H,1,8-11H2,2H3/t12-,14+,16-,17+,19-,20-,22-/m0/s1
InChIKey
OISZCFMVBRTVHR-LVKRODJJSA-N
Purity
>96%
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