Humantenine

For Research Use Only.
Category
Alkaloids
Cat.No.
NP0315
CAS
82375-29-9
Product Name
Humantenine
Structure

Product Details

Description
Humantenine may be found in the roots of Gelsemium elegans.
Synonyms
Humantenine; 82375-29-9; (1R,2S,4S,7Z,8R,9S)-7-ethylidene-1'-methoxy-5-methylspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-2'-one; CHEMBL523399; HY-N4031
IUPAC Name
(1R,2S,4S,7Z,8R,9S)-7-ethylidene-1'-methoxy-5-methylspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-2'-one
Molecular Weight
354.5
Molecular Formula
C21H26N2O3
Canonical SMILES
CC=C1CN(C2CC3(C4CC1C2CO4)C5=CC=CC=C5N(C3=O)OC)C
InChI
InChI=1S/C21H26N2O3/c1-4-13-11-22(2)18-10-21(19-9-14(13)15(18)12-26-19)16-7-5-6-8-17(16)23(25-3)20(21)24/h4-8,14-15,18-19H,9-12H2,1-3H3/b13-4+/t14-,15-,18-,19+,21-/m0/s1
InChIKey
SJKRPUOXUNOPOP-YDAOCWKESA-N
Boiling Point
480.1±55.0°C (Predicted)
Purity
>98%
Density
1.27±0.1 g/cm3(Predicted)
Appearance
Powder
Color
Yellow
Form
Powder
pKa
8.22±0.20(Predicted)
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