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Substance Name: Neohesperidin dihydrochalcone
RN: 20702-77-6
UNII: 3X476D83QV
InChIKey: ITVGXXMINPYUHD-CUVHLRMHSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C28-H36-O15

Molecular Weight

  • 612.577
 
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Names and Synonyms

Name of Substance

  • Neohesperidin dihydrochalcone

Synonyms

  • 1-(4-((2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,6-dihydroxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)-
  • 1-Propanone, 1-(4-((2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,6-dihydroxyphenyl)-3-(3-hydroxy-4-me
  • 3,5-Dihydroxy-4-(3-hydroxy-4-methoxyhydrocinnamoyl)phenyl) 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
  • CCRIS 4848
  • EINECS 243-978-6
  • Glucopyranoside, 3,5-dihydroxy-4-(3-hydroxy-4-methoxyhydrocinnamoyl)phenyl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-, beta-D-
  • NCI-C60764
  • Neohesperidin dc
  • Neohesperidin dhc
  • Neohesperidin dihydrochalcone
  • Nhdc
  • UNII-3X476D83QV

Systematic Names

  • 1-(4-((2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,6-dihydroxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)propan-1-one
  • 1-Propanone, 1-(4-((2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,6-dihydroxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)-
  • Glucopyranoside, 3,5-dihydroxy-4-(3-hydroxy-4-methoxyhydrocinnamoyl)phenyl-2-O-(6-deoxy-alpha-L-mannopyranosyl)-, beta-D-
  • Neohesperidin dihydrochalcone

Superlist Name

  • Neohesperidin dihydrochalcone

Registry Numbers

CAS Registry Number

  • 20702-77-6

FDA UNII

  • 3X476D83QV

System Generated Number

  • 0020702776

Structure Descriptors

InChI

1S/C28H36O15/c1-11-21(34)23(36)25(38)27(40-11)43-26-24(37)22(35)19(10-29)42-28(26)41-13-8-16(32)20(17(33)9-13)14(30)5-3-12-4-6-18(39-2)15(31)7-12/h4,6-9,11,19,21-29,31-38H,3,5,10H2,1-2H3/t11-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1

InChIKey

ITVGXXMINPYUHD-CUVHLRMHSA-N

Smiles

O([C@H]1[C@H](O[C@H]2[C@@H]([C@@H]([C@@H](O)[C@@H](O2)C)O)O)[C@H]([C@H](O)[C@H](O1)CO)O)c1cc(c(C(CCc2cc(c(OC)cc2)O)=O)c(c1)O)O