Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Salviadelphin cation
RN: 739336-47-1
UNII: 7WF9VH0S72
InChIKey: ISORUJJVGRWMCI-KJEREKKNSA-O

Molecular Formula

  • C42-H41-O26

Molecular Weight

  • 961.7599
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Salviadelphin cation

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)-
  • Salviadelphin cation
  • UNII-7WF9VH0S72

Registry Numbers

CAS Registry Number

  • 739336-47-1

FDA UNII

  • 7WF9VH0S72

System Generated Number

  • 0739336471

Structure Descriptors

InChI

1S/C42H40O26/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)/p+1/t26-,27-,34-,35+,36-,37-,38-,40-,41-,42-/m1/s1

InChIKey

ISORUJJVGRWMCI-KJEREKKNSA-O

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