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Substance Name: Sennosides A and B
RN: 62211-03-4
UNII: 1B5FPI42EN
InChIKey: JQVYZJIFFAHQKX-ZAULLPPESA-L

Molecular Formula

  • C42-H38-O20.Ca

Molecular Weight

  • 900.8044
 
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Names and Synonyms

Name of Substance

  • Sennosides A and B

Synonyms

  • EINECS 263-461-9
  • Pursennid
  • Pursennide
  • UNII-1B5FPI42EN

Systematic Name

  • Calcium (R*,R*)-5,5'-bis(beta-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo(9,9'-bianthracene)-2,2'-dicarboxylate

Registry Numbers

CAS Registry Number

  • 62211-03-4

FDA UNII

  • 1B5FPI42EN

System Generated Number

  • 0062211034

Molecular Formulas

Molecular Formula

  • C42-H38-O20.Ca

Molecular Formula Fragments

  • C42-H38-O20
  • Ca
  • COMPONENT

Structure Descriptors

InChI

1S/C42H38O20.Ca/c43-11-23-31(47)35(51)37(53)41(61-23)59-21-5-1-3-15-25(17-7-13(39(55)56)9-19(45)27(17)33(49)29(15)21)26-16-4-2-6-22(60-42-38(54)36(52)32(48)24(12-44)62-42)30(16)34(50)28-18(26)8-14(40(57)58)10-20(28)46;/h1-10,23-26,31-32,35-38,41-48,51-54H,11-12H2,(H,55,56)(H,57,58);/q;+2/p-2/t23-,24-,25?,26?,31-,32-,35+,36+,37-,38-,41-,42-;/m1./s1

InChIKey

JQVYZJIFFAHQKX-ZAULLPPESA-L

Smiles

c1cc2c(c(c1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)c4c(cc(cc4O)C(=O)[O-])C2C5c6cccc(c6C(=O)c7c5cc(cc7O)C(=O)[O-])O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O.[Ca+2]