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Substance Name: Salviadelphin chloride
RN: 128508-45-2
UNII: 30RMD28WTS
InChIKey: BUSHEYXQOAMBAI-PKDFCWOISA-N

Molecular Formula

  • C42-H41-O26.Cl

Molecular Weight

  • 997.2129
 
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Names and Synonyms

Name of Substance

  • Salviadelphin chloride

Synonyms

  • 1-Benzopyrylium, 5-((4,6-bis-O-(2-carboxyacetyl)-beta-D-glucopyranosyl)oxy)-3-((6-O-((2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl)-beta-D-glucopyranosyl)oxy)-7-hydroxy-2-(3,4,5-trihydroxyphenyl)-, chloride (1:1)
  • Salviadelphin chloride
  • UNII-30RMD28WTS

Registry Numbers

CAS Registry Number

  • 128508-45-2

FDA UNII

  • 30RMD28WTS

System Generated Number

  • 0128508452

Structure Descriptors

InChI

1S/C42H40O26.ClH/c43-17-8-23-18(24(9-17)64-42-38(60)36(58)40(68-32(54)12-29(50)51)27(67-42)14-62-31(53)11-28(48)49)10-25(39(63-23)16-6-21(46)33(55)22(47)7-16)65-41-37(59)35(57)34(56)26(66-41)13-61-30(52)4-2-15-1-3-19(44)20(45)5-15;/h1-10,26-27,34-38,40-42,56-60H,11-14H2,(H7-,43,44,45,46,47,48,49,50,51,52,55);1H/t26-,27-,34-,35+,36-,37-,38-,40-,41-,42-;/m1./s1

InChIKey

BUSHEYXQOAMBAI-PKDFCWOISA-N

Smiles

c1cc(c(cc1/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)COC(=O)CC(=O)O)OC(=O)CC(=O)O)O)O)O)[o+]c3c6cc(c(c(c6)O)O)O)O)O)O)O)O.[Cl-]