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CAS 62211-03-4

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[9,9′-Bianthracene]-2,2′-dicarboxylic acid, 5,5′-bis(β-D-glucopyranosyloxy)-9,9′,10,10′-tetrahydro-4,4′-dihydroxy-10,10′-dioxo-, calcium salt (1:1), (9R,9′R)-rel-

Description:
The chemical substance known as "[9,9′-Bianthracene]-2,2′-dicarboxylic acid, 5,5′-bis(β-D-glucopyranosyloxy)-9,9′,10,10′-tetrahydro-4,4′-dihydroxy-10,10′-dioxo-, calcium salt (1:1), (9R,9′R)-rel-" with CAS number 62211-03-4 is a complex organic compound characterized by its bianthracene backbone, which consists of two anthracene units. This compound features multiple functional groups, including carboxylic acid and glucopyranosyl moieties, which contribute to its solubility and potential biological activity. The presence of calcium as a salt form indicates its ionic nature, which may enhance its stability and solubility in aqueous environments. The stereochemistry denoted by (9R,9′R)-rel- suggests specific spatial arrangements of atoms that could influence its reactivity and interactions with biological systems. Overall, this compound may exhibit unique properties that could be of interest in fields such as medicinal chemistry, materials science, or biochemistry, particularly due to its potential applications in drug delivery or as a bioactive agent.
Formula:C42H38O20·Ca
InChI: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);
InChI key:InChIKey=JJUPVRKDTYVTST-UHFFFAOYSA-N
SMILES:O=C1C=2C(C(C=3C1=C(OC4OC(CO)C(O)C(O)C4O)C=CC3)C5C=6C(C(=O)C=7C5=CC=CC7OC8OC(CO)C(O)C(O)C8O)=C(O)C=C(C(O)=O)C6)=CC(C(O)=O)=CC2O.[Ca]
Synonyms:
  • 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
  • Pursennid
  • Pursennide
  • Sennoside Ca
  • [9,9′-Bianthracene]-2,2′-dicarboxylic acid, 5,5′-bis(β-<span class="text-smallcaps">D</span>-glucopyranosyloxy)-9,9′,10,10′-tetrahydro-4,4′-dihydroxy-10,10′-dioxo-, calcium salt (1:1), (9R,9′R)-rel-
  • [9,9′-Bianthracene]-2,2′-dicarboxylic acid, 5,5′-bis(β-<span class="text-smallcaps">D</span>-glucopyranosyloxy)-9,9′,10,10′-tetrahydro-4,4′-dihydroxy-10,10′-dioxo-, calcium salt (1:1), (R*,R*)-
  • calcium 5,5'-bis(beta-D-glucopyranosyloxy)-4,4'-dihydroxy-10,10'-dioxo-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylate
  • [9,9′-Bianthracene]-2,2′-dicarboxylic acid, 5,5′-bis(β-D-glucopyranosyloxy)-9,9′,10,10′-tetrahydro-4,4′-dihydroxy-10,10′-dioxo-, calcium salt (1:1), (R*,R*)-
  • [9,9′-Bianthracene]-2,2′-dicarboxylic acid, 5,5′-bis(β-D-glucopyranosyloxy)-9,9′,10,10′-tetrahydro-4,4′-dihydroxy-10,10′-dioxo-, calcium salt (1:1), (9R,9′R)-rel-
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