Humantenmine

For Research Use Only.
Category
Alkaloids
Cat.No.
NP0351
CAS
82354-38-9
Product Name
Humantenmine
Structure

Product Details

Description
Humantenmine, isolated from Gelsemium elegans Benth, may inhibit several CYP450 enzyme activities.
Synonyms
Spiro[3H-indole-3,7'(6'H)-[3,6]methano[3H]oxepino[4,3-b]pyrrol]-2(1H)-one, 2'-ethyl-3'a,4',8',8'a-tetrahydro-1-methoxy-, (3S,3'R,3'aS,6'R,8'aS)-
IUPAC Name
(1R,2S,4S,8S)-6-ethyl-1'-methoxyspiro[10-oxa-5-azatricyclo[5.3.1.04,8]undec-5-ene-2,3'-indole]-2'-one
Molecular Weight
326.39
Molecular Formula
C19H22N2O3
Canonical SMILES
CCC1=NC2CC3(C4CC1C2CO4)C5=CC=CC=C5N(C3=O)OC
InChI
InChI=1S/C19H22N2O3/c1-3-14-11-8-17-19(9-15(20-14)12(11)10-24-17)13-6-4-5-7-16(13)21(23-2)18(19)22/h4-7,11-12,15,17H,3,8-10H2,1-2H3/t11?,12-,15-,17+,19-/m0/s1
InChIKey
BIGABVPVCRHEES-BTOOUBFQSA-N
Boiling Point
463.6±55.0°C (Predicted)
Purity
>98%
Density
1.44±0.1 g/cm3(Predicted)
Color
Yellow
Form
Powder
pKa
7.17±0.20(Predicted)
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