Bergamottin

Bergamottin
Names
Preferred IUPAC name
4-{[(2E)-3,7-Dimethylocta-2,6-dien-1-yl]oxy}-7H-furo[3,2-g][1]benzopyran-7-one
Other names
Bergamotine
5-Geranoxypsoralen
Identifiers
3D model (JSmol)
ChEMBL
ChemSpider
ECHA InfoCard 100.166.792
UNII
  • InChI=1S/C21H22O4/c1-14(2)5-4-6-15(3)9-11-24-21-16-7-8-20(22)25-19(16)13-18-17(21)10-12-23-18/h5,7-10,12-13H,4,6,11H2,1-3H3/b15-9+ Y
    Key: DBMJZOMNXBSRED-OQLLNIDSSA-N Y
  • InChI=1/C21H22O4/c1-14(2)5-4-6-15(3)9-11-24-21-16-7-8-20(22)25-19(16)13-18-17(21)10-12-23-18/h5,7-10,12-13H,4,6,11H2,1-3H3/b15-9+
    Key: DBMJZOMNXBSRED-OQLLNIDSBR
  • CC(=CCC/C(=C/COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)/C)C
Properties
C21H22O4
Molar mass 338.403 g·mol−1
Melting point 55 to 56 °C (131 to 133 °F; 328 to 329 K)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Y verify (what is YN ?)
Infobox references

Bergamottin (5-geranoxypsoralen) is a natural furanocoumarin found in the pulp of pomelos and grapefruits. It is also found in the peel and pulp of the bergamot orange, from which it was first isolated and from which its name is derived.