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Substance Name: 5,3'-Dimethyl hesperidin
RN: 28719-21-3
UNII: 5IGQ7BT3EL
InChIKey: HGNGSTGMDVMUMT-IPVBXYCWSA-N

Molecular Formula

  • C30-H38-O15

Molecular Weight

  • 638.6152
 
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Names and Synonyms

Name of Substance

  • 5,3'-Dimethyl hesperidin

Synonyms

  • 4H-1-Benzopyran-4-one, 7-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2-(3,4-dimethoxyphenyl)-2,3-dihydro-5-methoxy-, (S)-
  • 5,3'-Dimethyl hesperidin
  • Flavanone, 7-hydroxy-3',4',5-trimethoxy-, 7-beta-rutinoside
  • Glucopyranoside, 2-(3,4-dimethoxyphenyl)-5-methoxy-4-oxo-7-chromanyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-, beta-D-
  • UNII-5IGQ7BT3EL

Registry Numbers

CAS Registry Number

  • 28719-21-3

FDA UNII

  • 5IGQ7BT3EL

System Generated Number

  • 0028719213

Structure Descriptors

InChI

1S/C30H38O15/c1-12-23(32)25(34)27(36)29(42-12)41-11-21-24(33)26(35)28(37)30(45-21)43-14-8-19(40-4)22-15(31)10-17(44-20(22)9-14)13-5-6-16(38-2)18(7-13)39-3/h5-9,12,17,21,23-30,32-37H,10-11H2,1-4H3/t12-,17-,21+,23-,24+,25+,26-,27+,28+,29+,30+/m0/s1

InChIKey

HGNGSTGMDVMUMT-IPVBXYCWSA-N

Smiles

COc1ccc(cc1OC)[C@@H]2CC(=O)c3c(OC)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3O2