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Substance Name: Glucofrangulin A
RN: 21133-53-9
UNII: MB7V137HOF
InChIKey: GPSQZOFVCVOOIE-QWVHOXPHSA-N

Note

  • From the bark of Frangula alnus.

Molecular Formula

  • C27-H30-O14

Molecular Weight

  • 578.52
 
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Names and Synonyms

Results Name

  • Glucofrangulin A

Name of Substance

  • Glucofrangulin A

Synonyms

  • EINECS 244-234-3
  • Glucofrangulin A
  • UNII-MB7V137HOF

Systematic Name

  • 3-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-1-(beta-D-glucopyranosyloxy)-8-hydroxy-6-methylanthraquinone

Registry Numbers

CAS Registry Number

  • 21133-53-9

FDA UNII

  • MB7V137HOF

System Generated Number

  • 0021133539

Structure Descriptors

InChI

1S/C27H30O14/c1-8-3-11-16(13(29)4-8)21(33)17-12(19(11)31)5-10(39-26-24(36)22(34)18(30)9(2)38-26)6-14(17)40-27-25(37)23(35)20(32)15(7-28)41-27/h3-6,9,15,18,20,22-30,32,34-37H,7H2,1-2H3/t9-,15+,18-,20+,22+,23-,24+,25+,26-,27+/m0/s1

InChIKey

GPSQZOFVCVOOIE-QWVHOXPHSA-N

Smiles

C[C@@H]1O[C@@H](Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c4C(=O)c5c(O)cc(C)cc5C(=O)c4c2)[C@H](O)[C@H](O)[C@H]1O