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Substance Name: 3,7,8-Tri-O-methylellagic acid 4-glucoside
RN: 114942-09-5
InChIKey: GTSLCJJADQBPEM-WBKKLFQOSA-N

Molecular Formula

  • C23-H22-O13

Molecular Weight

  • 506.4138
 
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Names and Synonyms

Name of Substance

  • 3,7,8-Tri-O-methylellagic acid 4-glucoside

Synonym

  • TMEAG

Systematic Name

  • (1)Benzopyrano(5,4,3-cde)(1)benzopyran-5,10-dione, 1-(beta-D-glucopyranosyloxy)-2,6,7-trimethoxy-

Registry Numbers

CAS Registry Number

  • 114942-09-5

System Generated Number

  • 0114942095

Structure Descriptors

InChI

1S/C23H22O13/c1-30-9-4-7-12-13-8(33-21(28)14(12)19(9)32-3)5-10(31-2)20(15(13)22(29)34-7)36-23-18(27)17(26)16(25)11(6-24)35-23/h4-5,11,16-18,23-27H,6H2,1-3H3/t11-,16-,17+,18-,23+/m1/s1

InChIKey

GTSLCJJADQBPEM-WBKKLFQOSA-N

Smiles

COc1cc2c3c4c(cc(c(c4c(=O)o2)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)OC)oc(=O)c3c1OC