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Substance Name: 2''-Galloylhyperin
RN: 53209-27-1
InChIKey: PXGWEUQZDRUMRE-UNZYZCBSSA-N

Note

  • Isolated from Pyrola calliantha.

Molecular Formula

  • C28-H24-O16

Molecular Weight

  • 616.4816
 
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Names and Synonyms

Name of Substance

  • 2''-Galloylhyperin

Synonyms

  • Quercetin 3-beta-galactoside-2''-gallate
  • Quercetin-3-O-(2'-galloyl)-beta-D-galactopyranoside

Systematic Name

  • Benzoic acid, 3,4,5-trihydroxy-, 2'-ester with 2-(3,4-dihydroxyphenyl)-3-(beta-D-glucopyransyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one

Registry Numbers

CAS Registry Number

  • 53209-27-1

Other Registry Numbers

  • 53745-13-4
  • 56552-82-0

System Generated Number

  • 0053209271

Structure Descriptors

InChI

1S/C28H24O16/c29-8-18-21(37)23(39)26(43-27(40)10-4-15(34)20(36)16(35)5-10)28(42-18)44-25-22(38)19-14(33)6-11(30)7-17(19)41-24(25)9-1-2-12(31)13(32)3-9/h1-7,18,21,23,26,28-37,39H,8H2/t18-,21+,23+,26-,28+/m1/s1

InChIKey

PXGWEUQZDRUMRE-UNZYZCBSSA-N

Smiles

OC[C@H]1O[C@@H](OC2=C(Oc3cc(O)cc(O)c3C2=O)c4ccc(O)c(O)c4)[C@H](OC(=O)c5cc(O)c(O)c(O)c5)[C@@H](O)[C@H]1O