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Substance Name: Glucofrangulin B
RN: 14062-59-0
UNII: 45K8JI0W31
InChIKey: SOAOUDVXSAIAHD-XXLFKDOXSA-N

Note

  • From the bark of Frangula alnus.

Molecular Formula

  • C26-H28-O14

Molecular Weight

  • 564.4932
 
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Names and Synonyms

Name of Substance

  • Glucofrangulin B

Synonyms

  • EINECS 237-908-3
  • Glucofranqulin B
  • UNII-45K8JI0W31

Systematic Names

  • 3-(D-Apio-beta-D-furanosyloxy)-1-(beta-D-glucopyranosyloxy)-8-hydroxy-6-methylanthraquinone
  • 9,10-Anthracenedione, 3-(D-apio-beta-D-furanosyloxy)-1-(beta-D-glucopyranosyloxy)-8-hydroxy-6-methyl-

Registry Numbers

CAS Registry Number

  • 14062-59-0

FDA UNII

  • 45K8JI0W31

System Generated Number

  • 0014062590

Structure Descriptors

InChI

1S/C26H28O14/c1-10-2-12-17(14(29)3-10)21(32)18-13(19(12)30)4-11(40-26(36)9-37-8-25(26,35)7-28)5-15(18)38-24-23(34)22(33)20(31)16(6-27)39-24/h2-5,16,20,22-24,27-29,31,33-36H,6-9H2,1H3/t16-,20-,22+,23-,24-,25-,26-/m1/s1

InChIKey

SOAOUDVXSAIAHD-XXLFKDOXSA-N

Smiles

Cc1cc(O)c2C(=O)c3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O[C@]5(O)COC[C@]5(O)CO)cc3C(=O)c2c1