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Substance Name: beta-D-Glucopyranose, 1,2,6-tris(3,4,5-trihydroxybenzoate)
RN: 79886-49-0
InChIKey: KCQFLGUEZXYOER-IPKUFKRGSA-N

Molecular Formula

  • C27-H24-O18

Molecular Weight

  • 636.469
 
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Names and Synonyms

Synonym

  • 1,2,6-Tri-O-galloyl-beta-D-glucose

Systematic Name

  • beta-D-Glucopyranose, 1,2,6-tris(3,4,5-trihydroxybenzoate)

Registry Numbers

CAS Registry Number

  • 79886-49-0

System Generated Number

  • 0079886490

Structure Descriptors

InChI

1S/C27H24O18/c28-12-1-9(2-13(29)19(12)34)23(37)42-7-18-22(45-25(39)11-5-16(32)21(36)17(33)6-11)27(41,26(40)44-18)8-43-24(38)10-3-14(30)20(35)15(31)4-10/h1-6,18,22,26,28-36,40-41H,7-8H2/t18?,22?,26-,27?/m1/s1

InChIKey

KCQFLGUEZXYOER-IPKUFKRGSA-N

Smiles

O1[C@H]([C@@]([C@@H]([C@@H]1COC(c1cc(O)c(c(c1)O)O)=O)OC(c1cc(O)c(c(c1)O)O)=O)(COC(c1cc(O)c(c(c1)O)O)=O)O)O