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Substance Name: Awobanin chloride
RN: 64615-55-0
UNII: 8N4C47103Q
InChIKey: CPIZSIUIRRFHON-AUXWZBNRSA-N

Molecular Formula

  • C36-H37-O19.Cl

Molecular Weight

  • 809.1223
 
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Names and Synonyms

Name of Substance

  • Awobanin chloride

Synonyms

  • 1-Benzopyrylium, 5-(beta-D-glucopyranosyloxy)-7-hydroxy-3-((6-O-((2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl)-beta-D-glucopyranosyl)oxy)-2-(3,4,5-trihydroxyphenyl)-, chloride (1:1)
  • Awobanin chloride
  • UNII-8N4C47103Q

Registry Numbers

CAS Registry Number

  • 64615-55-0

FDA UNII

  • 8N4C47103Q

System Generated Number

  • 0064615550

Structure Descriptors

InChI

1S/C36H36O19.ClH/c37-12-24-28(44)30(46)32(48)35(54-24)52-22-10-17(39)9-21-18(22)11-23(34(51-21)15-7-19(40)27(43)20(41)8-15)53-36-33(49)31(47)29(45)25(55-36)13-50-26(42)6-3-14-1-4-16(38)5-2-14;/h1-11,24-25,28-33,35-37,44-49H,12-13H2,(H4-,38,39,40,41,42,43);1H/t24-,25-,28-,29-,30+,31+,32-,33-,35-,36-;/m1./s1

InChIKey

CPIZSIUIRRFHON-AUXWZBNRSA-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+]c3c6cc(c(c(c6)O)O)O)O)O)O)O.[Cl-]