Description
Severibuxine is an alkaloid from the root bark of Severinia buxifolia, and found in Atalantia buxifolia.
Synonyms
2,4(1H,3H)-Quinolinedione, 3,3-bis[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-6-hydroxy-; 3,3-Bis[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-6-hydroxy-2,4(1H,3H)-quinolinedione
IUPAC Name
3,3-bis[(2E)-3,7-dimethylocta-2,6-dienyl]-6-hydroxy-1H-quinoline-2,4-dione
Molecular Formula
C29H39NO3
Canonical SMILES
CC(=CCCC(=CCC1(C(=O)C2=C(C=CC(=C2)O)NC1=O)CC=C(C)CCC=C(C)C)C)C
InChI
InChI=1S/C29H39NO3/c1-20(2)9-7-11-22(5)15-17-29(18-16-23(6)12-8-10-21(3)4)27(32)25-19-24(31)13-14-26(25)30-28(29)33/h9-10,13-16,19,31H,7-8,11-12,17-18H2,1-6H3,(H,30,33)/b22-15+,23-16+
InChIKey
SHPNXUNENDVMRG-QAOSGDJLSA-N
Boiling Point
617.4±55.0°C (Predicted)
Density
1.033±0.06 g/cm3 (Predicted)
Solubility
Soluble in Acetone, Chloroform, Dichloromethane, DMSO, Ethyl Acetate
Appearance
Yellowish Needles