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Substance Name: Neohesperidin
RN: 13241-33-3
UNII: OA5C88H3L0
InChIKey: ARGKVCXINMKCAZ-UZRWAPQLSA-N

Notes

  • Antiulcer agent from the fruits of Poncirus trifoliata.
  • Antiulcer agent from the fruits of Poncirus trifoliate.

Molecular Formula

  • C28-H34-O15

Molecular Weight

  • 610.5616
 

Classification Code

  • Mutation Data
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Names and Synonyms

Results Name

  • Neohesperidin

Name of Substance

  • Neohesperidin

Synonyms

  • 5-18-05-00219 (Beilstein Handbook Reference)
  • BRN 0074945
  • EINECS 236-216-9
  • Hesperetin-7-neohesperidoside
  • Neohesperidin
  • NSC 31048
  • UNII-OA5C88H3L0

Systematic Names

  • (S)-7-(((2-O-6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one
  • 4H-1-Benzopyran-4-one, 2,3-dihydro-7-((2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (S)-
  • 4H-1-Benzopyran-4-one, 7-((2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (S)- (9CI)
  • Neohesperidin (8CI)

Registry Numbers

CAS Registry Number

  • 13241-33-3

FDA UNII

  • OA5C88H3L0

System Generated Number

  • 0013241333

Structure Descriptors

InChI

1S/C28H34O15/c1-10-21(33)23(35)25(37)27(39-10)43-26-24(36)22(34)19(9-29)42-28(26)40-12-6-14(31)20-15(32)8-17(41-18(20)7-12)11-3-4-16(38-2)13(30)5-11/h3-7,10,17,19,21-31,33-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1

InChIKey

ARGKVCXINMKCAZ-UZRWAPQLSA-N

Smiles

COc1ccc(cc1O)[C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)cc3O2