Description
7-(6'R-Hydroxy-3',7'-dimethylocta-2',7'-dienyloxy)coumarin is a natural product found in Citrus medica, Citrus hassaku, and Aegle marmelos.
Synonyms
2H-1-Benzopyran-2-one, 7-[[(2E,6R)-6-hydroxy-3,7-dimethyl-2,7-octadien-1-yl]oxy]-; 7-[[(2E,6R)-6-Hydroxy-3,7-dimethyl-2,7-octadienyl]oxy]-2H-1-benzopyran-2-one
IUPAC Name
7-[(2E,6R)-6-hydroxy-3,7-dimethylocta-2,7-dienoxy]chromen-2-one
Molecular Formula
C19H22O4
Canonical SMILES
CC(=C)C(CCC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)C)O
InChI
InChI=1S/C19H22O4/c1-13(2)17(20)8-4-14(3)10-11-22-16-7-5-15-6-9-19(21)23-18(15)12-16/h5-7,9-10,12,17,20H,1,4,8,11H2,2-3H3/b14-10+/t17-/m1/s1
InChIKey
OWAQHJLCKMIPKB-IDKBZEPQSA-N
Boiling Point
497.0±45.0°C (Predicted)
Density
1.139±0.06 g/cm3 (Predicted)
Solubility
Soluble in Acetone, Chloroform, Dichloromethane, DMSO, Ethanol, Ethyl Acetate