[7aS,(+)]-6,7,7a,8-Tetrahydro-7-methyl-5H-benzo[g]-1,3-benzodioxolo[6,5,4-de]quinoline

Inquiry

For Research Use Only.

Category

Alkaloids

Cat.No.

NP0322

CAS

2030-53-7

Product Name

[7aS,(+)]-6,7,7a,8-Tetrahydro-7-methyl-5H-benzo[g]-1,3-benzodioxolo[6,5,4-de]quinoline

Structure

Product Details

Description

Aporheine is an alkaloid compound found in the herbs of Phellinus igniarius.

Synonyms

Aporrheine; (+)-Aporrheine; (+)-Isoremerine; (6aS)-1,2-(Methylenebisoxy)-6-methyl-5,6,6aα,7-tetrahydro-4H-dibenzo[de,g]quinoline; [7aS,(+)]-6,7,7a,8-Tetrahydro-7-methyl-5H-benzo[g]-1,3-benzodioxolo[6,5,4-de]quinoline; (+)-Roemerine; 1,2-Methylenedioxyaporphine; (7aS)-7-Methyl-6,7,7a,8-tetrahydro-5H-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinoline

IUPAC Name

(12S)-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaene

Molecular Weight

279.33

Molecular Formula

C18H17NO2

Canonical SMILES

CN1CCC2=CC3=C(C4=C2C1CC5=CC=CC=C54)OCO3

InChI

InChI=1S/C18H17NO2/c1-19-7-6-12-9-15-18(21-10-20-15)17-13-5-3-2-4-11(13)8-14(19)16(12)17/h2-5,9,14H,6-8,10H2,1H3/t14-/m0/s1

InChIKey

JCTYWRARKVGOBK-AWEZNQCLSA-N

Boiling Point

424.0±34.0°C (Predicted)

Melting Point

102°C

Purity

>95%

Density

1.269±0.06 g/cm3 (Predicted)

Appearance

Powder

Storage

Store at 2-8°C

Alpha

D22 +80° (c = 0.50 in ethanol)

Color

Orange

Form

Powder

MDL

MFCD23103599

pKa

6.1(at 25℃)

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