6,7-Didehydro-8β,10β-epoxy-3,4,7-trimethoxy-17-methylhasubanan-8-ol
Description
Prometaphanine is isolated from the root of Stephania japonica.
Synonyms
6,7-Didehydro-8β,10β-epoxy-3,4,7-trimethoxy-17-methylhasubanan-8-ol; (10β)-10-Hydroxy-3,4,7-trimethoxy-17-methyl-6,7-didehydrohasubana n-8-one
IUPAC Name
(1R,8S,10S)-8-hydroxy-3,4,12-trimethoxy-17-methyl-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5,12-tetraen-11-one
Molecular Formula
C20H25NO5
Canonical SMILES
CN1CCC23C1(CC(C4=C2C(=C(C=C4)OC)OC)O)C(=O)C(=CC3)OC
InChI
InChI=1S/C20H25NO5/c1-21-10-9-19-8-7-15(25-3)18(23)20(19,21)11-13(22)12-5-6-14(24-2)17(26-4)16(12)19/h5-7,13,22H,8-11H2,1-4H3/t13-,19+,20+/m0/s1
InChIKey
WOJRBUGBSKAUMI-CJMONDIMSA-N
Boiling Point
544.4±50.0°C (Predicted)
Density
1.35±0.1 g/cm3(Predicted)
pKa
12.33±0.40(Predicted)