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Substance Name: Bergamottin
RN: 7380-40-7
UNII: JMU611YFRB
InChIKey: DBMJZOMNXBSRED-OQLLNIDSSA-N

Note

  • Constituent of bergamot oil.

Molecular Formula

  • C21-H22-O4

Molecular Weight

  • 338.4008
 
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Names and Synonyms

Name of Substance

  • Bergamottin

Synonyms

  • 5-Geranoxypsoralen
  • Bergamotin
  • Bergamotine
  • Bergamottin
  • CCRIS 8085
  • UNII-JMU611YFRB

Systematic Name

  • 7H-Furo(3,2-g)(1)benzopyran-7-one, 4-((3,7-dimethyl-2,6-octadienyl)oxy)-, (E)-

Registry Numbers

CAS Registry Number

  • 7380-40-7

FDA UNII

  • JMU611YFRB

System Generated Number

  • 0007380407

Structure Descriptors

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+

InChIKey

DBMJZOMNXBSRED-OQLLNIDSSA-N

Smiles

CC(=CCC\C(=C\COc1c2C=CC(=O)Oc2cc3occc13)\C)C