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Substance Name: 4',7-Di-O-(beta-hydroxyethyl)rutoside
RN: 13190-91-5
UNII: CI11W0EN4X
InChIKey: VJTPZRVCTXGNSH-MVXJRKCZSA-N

Molecular Formula

  • C31-H38-O18

Molecular Weight

  • 698.6232
 
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Names and Synonyms

Name of Substance

  • 4',7-Di-O-(beta-hydroxyethyl)rutoside

Synonyms

  • 4',7-Bis(beta-hydroxyethyl)rutoside
  • 4',7-Di-O-(beta-hydroxyethyl)rutoside
  • 4',7-Di-O-(hydroxyethyl)rutin
  • 4H-1-Benzopyran-4-one, 3-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5-hydroxy-7-(2-hydroxyethoxy)-2-(3-hydroxy-4-(2-hydroxyethoxy)phenyl)-
  • O-(beta-Hydroxyethyl)rutoside, (4', 7)-di-
  • UNII-CI11W0EN4X

Registry Numbers

CAS Registry Number

  • 13190-91-5

FDA UNII

  • CI11W0EN4X

System Generated Number

  • 0013190915

Structure Descriptors

InChI

1S/C31H38O18/c1-12-21(36)24(39)26(41)30(46-12)45-11-19-22(37)25(40)27(42)31(48-19)49-29-23(38)20-16(35)9-14(43-6-4-32)10-18(20)47-28(29)13-2-3-17(15(34)8-13)44-7-5-33/h2-3,8-10,12,19,21-22,24-27,30-37,39-42H,4-7,11H2,1H3/t12-,19+,21-,22+,24+,25-,26+,27+,30+,31-/m0/s1

InChIKey

VJTPZRVCTXGNSH-MVXJRKCZSA-N

Smiles

C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(Oc4cc(OCCO)cc(O)c4C3=O)c5ccc(OCCO)c(O)c5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O