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Substance Name: Physcion diglucoside
RN: 84268-38-2
InChIKey: YMXXCMGLMRYEQD-FIZMBULJSA-N

Note

  • From rhubarb roots.

Molecular Formula

  • C28-H32-O15

Molecular Weight

  • 608.546
 
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Names and Synonyms

Name of Substance

  • Physcion diglucoside

Synonyms

  • NSC 374115
  • Physcion-beta-D-gentiobioside
  • Physcion-beta-D-glucoside

Systematic Name

  • 9,10-Anthracenedione, 1-((6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)-8-hydroxy-3-methoxy-6-methyl-

Registry Numbers

CAS Registry Number

  • 84268-38-2

System Generated Number

  • 0084268382

Structure Descriptors

InChI

1S/C28H32O15/c1-9-3-11-17(13(30)4-9)22(34)18-12(19(11)31)5-10(39-2)6-14(18)41-28-26(38)24(36)21(33)16(43-28)8-40-27-25(37)23(35)20(32)15(7-29)42-27/h3-6,15-16,20-21,23-30,32-33,35-38H,7-8H2,1-2H3/t15-,16-,20-,21?,23+,24+,25-,26-,27-,28-/m1/s1

InChIKey

YMXXCMGLMRYEQD-FIZMBULJSA-N

Smiles

O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O)OC[C@@H]1[C@@H](O)[C@@H]([C@H]([C@@H](O1)Oc1c2C(c3c(cc(cc3O)C)C(c2cc(OC)c1)=O)=O)O)O