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Substance Name: Hesperidin chalcone
RN: 50376-44-8
UNII: 38WK1U12MB
InChIKey: NDTCCAGOOOOBNJ-ZHVSJPNKSA-N

Molecular Formula

  • C28-H34-O15

Molecular Weight

  • 610.5616
 
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Names and Synonyms

Name of Substance

  • Hesperidin chalcone

Synonyms

  • 2-Propen-1-one, 1-(4-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,6-dihydroxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)-, (2E)-
  • Chalcone, 2',3,4',6'-tetrahydroxy-4-methoxy-, 4'-(6-alpha-L-rhamno-beta-D-glucopyranoside)
  • Hesperidin chalcone
  • UNII-38WK1U12MB

Registry Numbers

CAS Registry Number

  • 50376-44-8

FDA UNII

  • 38WK1U12MB

System Generated Number

  • 0050376448

Structure Descriptors

InChI

1S/C28H34O15/c1-11-21(33)23(35)25(37)27(41-11)40-10-19-22(34)24(36)26(38)28(43-19)42-13-8-16(31)20(17(32)9-13)14(29)5-3-12-4-6-18(39-2)15(30)7-12/h3-9,11,19,21-28,30-38H,10H2,1-2H3/b5-3+/t11-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1

InChIKey

NDTCCAGOOOOBNJ-ZHVSJPNKSA-N

Smiles

COc1ccc(\C=C\C(=O)c2c(O)cc(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc2O)cc1O