6-Acetonyl-N-methyl-dihydrodecarine

For Research Use Only.
Category
Alkaloids
Cat.No.
NP0330
CAS
1253740-09-8
Product Name
6-Acetonyl-N-methyl-dihydrodecarine
Structure

Product Details

Description
6-Acetonyl-N-methyl-dihydrodecarine isolated from the fruits of Evodia rutaecarpa.
Synonyms
1-(2-Hydroxy-1-methoxy-12-methyl-12,13-dihydro[1,3]benzodioxolo[5 ,6-c]phenanthridin-13-yl)acetone
IUPAC Name
1-(2-hydroxy-1-methoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridin-13-yl)propan-2-one
Molecular Weight
391.4
Molecular Formula
C23H21NO5
Canonical SMILES
CC(=O)CC1C2=C(C=CC(=C2OC)O)C3=C(N1C)C4=CC5=C(C=C4C=C3)OCO5
InChI
InChI=1S/C23H21NO5/c1-12(25)8-17-21-14(6-7-18(26)23(21)27-3)15-5-4-13-9-19-20(29-11-28-19)10-16(13)22(15)24(17)2/h4-7,9-10,17,26H,8,11H2,1-3H3
InChIKey
UTNGZOZDCCIQFH-UHFFFAOYSA-N
Boiling Point
620.6±55.0°C (Predicted)
Purity
99%
Density
1.322±0.06 g/cm3(Predicted)
Appearance
Yellow powder
Form
Powder
pKa
9.40±0.40(Predicted)
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