6-Acetonyl-N-methyl-dihydrodecarine

Inquiry

For Research Use Only.

Category

Alkaloids

Cat.No.

NP0330

CAS

1253740-09-8

Product Name

6-Acetonyl-N-methyl-dihydrodecarine

Structure

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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