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Substance Name: Bis(demalonyl)monardaein chloride
RN: 1329-77-7
UNII: AHK570X0L5
InChIKey: XZNOFGBOGNYXQR-DTBMBSLQSA-N

Molecular Formula

  • C36-H37-O17.Cl

Molecular Weight

  • 777.1243
 
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Names and Synonyms

Name of Substance

  • Bis(demalonyl)monardaein chloride

Synonyms

  • 1-Benzopyrylium, 5-(beta-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)-3-((6-O-((2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl)-beta-D-glucopyranosyl)oxy)-, chloride
  • 1-Benzopyrylium, 5-(beta-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)-3-((6-O-(3-(4-hydroxyphenyl)-1-oxo-2-propenyl)-beta-D-glucopyranosyl)oxy)-, chloride,
  • Bis(demalonyl)monardaein chloride
  • Monardein chloride [MI]
  • UNII-AHK570X0L5

Registry Numbers

CAS Registry Number

  • 1329-77-7

FDA UNII

  • AHK570X0L5

System Generated Number

  • 0001329777

Structure Descriptors

InChI

1S/C36H36O17.ClH/c37-14-25-28(42)30(44)32(46)35(52-25)50-23-12-20(40)11-22-21(23)13-24(34(49-22)17-4-8-19(39)9-5-17)51-36-33(47)31(45)29(43)26(53-36)15-48-27(41)10-3-16-1-6-18(38)7-2-16;/h1-13,25-26,28-33,35-37,42-47H,14-15H2,(H2-,38,39,40,41);1H/t25-,26-,28-,29-,30+,31+,32-,33-,35-,36-;/m1./s1

InChIKey

XZNOFGBOGNYXQR-DTBMBSLQSA-N

Smiles

c1cc(ccc1/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)Oc3cc4c(cc(cc4O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)[o+]c3c6ccc(cc6)O)O)O)O)O.[Cl-]