A-ALLOCRYPTOPINE

Inquiry

For Research Use Only.

Category

Alkaloids

Cat.No.

NP0076

CAS

476-33-5

Product Name

A-ALLOCRYPTOPINE

Structure

Product Details

Synonyms

HOMOCHELIDONINE; HOMOCHELIDONINE, A-; A-ALLOCRYPTOPINE; A-HOMOCHELIDONINE; ALPHA-HOMOCHELIDONINE; [4bR-(4balpha,5beta,11balpha)]-4b,5,6,11b,12,13-hexahydro-1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-5-ol; HOMOCHELIDONINE, a-(P); (4bR)-4b,5,6,1

IUPAC Name

(4bR,5S,11bS)-1,2-dimethoxy-12-methyl-5,6,11b,13-tetrahydro-4bH-[1,3]benzodioxolo[5,6-c]phenanthridin-5-ol

Molecular Weight

369.41

Molecular Formula

C21H23NO5

Canonical SMILES

CN1CC2=C(C=CC(=C2OC)OC)C3C1C4=CC5=C(C=C4CC3O)OCO5

InChI

InChI=1S/C21H23NO5/c1-22-9-14-12(4-5-16(24-2)21(14)25-3)19-15(23)6-11-7-17-18(27-10-26-17)8-13(11)20(19)22/h4-5,7-8,15,19-20,23H,6,9-10H2,1-3H3/t15-,19-,20+/m0/s1

InChIKey

MADYLZJCRKUBIK-RYGJVYDSSA-N

Boiling Point

521.3±50.0°C (Predicted)

Melting Point

182°C

Purity

0.95

Density

1.294±0.06 g/cm3(Predicted)

Alpha

D +118° (alc)