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Substance Name: Aurantiumal
RN: 6077-79-8
UNII: 14MZG7GQ2L
InChIKey: JBBNVKWFZYFPIG-VGOFMYFVSA-N

Molecular Formula

  • C21-H22-O5

Molecular Weight

  • 354.3998
 
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Names and Synonyms

Name of Substance

  • Aurantiumal

Synonyms

  • 5-((3,6-Dimethyl-6-formyl-2-heptenyl)oxy)psoralen
  • 5-Benzofuranacrylic acid, 4-((6-formyl-3,6-dimethyl-2-heptenyl)oxy)-6-hydroxy-, delta-lactone
  • 5-Heptenal, 2,2,5-trimethyl-7-((7-oxo-7H-furo(3,2-g)(1)benzopyran-4-yl)oxy)-
  • Aurantiumal
  • UNII-14MZG7GQ2L

Registry Numbers

CAS Registry Number

  • 6077-79-8

FDA UNII

  • 14MZG7GQ2L

System Generated Number

  • 0006077798

Structure Descriptors

InChI

1S/C21H22O5/c1-14(6-9-21(2,3)13-22)7-10-25-20-15-4-5-19(23)26-18(15)12-17-16(20)8-11-24-17/h4-5,7-8,11-13H,6,9-10H2,1-3H3/b14-7+

InChIKey

JBBNVKWFZYFPIG-VGOFMYFVSA-N

Smiles

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