(9R,9′R)-5-[[6-O-(Carboxycarbonyl)-β-D-glucopyranosyl]oxy]-5′-(β-D-glucopyranosyloxy)-4,4′-dihydroxy-9,9′,10,10′-tetrahydro-10,10′-dioxo[9,9′-bianthracene]-2,2′-dicarboxylic acid

CAS Registry Number®

792907-49-4

CAS Name

(9R,9′R)-5-[[6-O-(Carboxycarbonyl)-β-D-glucopyranosyl]oxy]-5′-(β-D-glucopyranosyloxy)-4,4′-dihydroxy-9,9′,10,10′-tetrahydro-10,10′-dioxo[9,9′-bianthracene]-2,2′-dicarboxylic acid

Molecular Formula

C44H38O23

Molecular Mass

934.76

Cite this Page

(9R,9′R)-5-[[6-O-(Carboxycarbonyl)-β-D-glucopyranosyl]oxy]-5′-(β-D-glucopyranosyloxy)-4,4′-dihydroxy-9,9′,10,10′-tetrahydro-10,10′-dioxo[9,9′-bianthracene]-2,2′-dicarboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=792907-49-4 (retrieved 2025-08-14) (CAS RN: 792907-49-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C44H38O23/c45-11-23-31(48)35(52)37(54)43(66-23)64-21-5-1-3-15-25(17-7-13(39(56)57)9-19(46)27(17)33(50)29(15)21)26-16-4-2-6-22(30(16)34(51)28-18(26)8-14(40(58)59)10-20(28)47)65-44-38(55)36(53)32(49)24(67-44)12-63-42(62)41(60)61/h1-10,23-26,31-32,35-38,43-49,52-55H,11-12H2,(H,56,57)(H,58,59)(H,60,61)/t23-,24-,25-,26-,31-,32-,35+,36+,37-,38-,43-,44-/m1/s1

InChIKey

InChIKey=PHEIITIDIABQFL-WENVHRLESA-N

SMILES

O(C1=C2C([C@](C=3C(C2=O)=C(O)C=C(C(O)=O)C3)([C@@]4(C=5C(=C(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C=CC5)C(=O)C=7C4=CC(C(O)=O)=CC7O)[H])[H])=CC=C1)[C@@H]8O[C@H](COC(C(O)=O)=O)[C@@H](O)[C@H](O)[C@H]8O

Canonical SMILES

O=C(O)C(=O)OCC1OC(OC2=CC=CC3=C2C(=O)C4=C(O)C=C(C=C4C3C5C=6C=CC=C(OC7OC(CO)C(O)C(O)C7O)C6C(=O)C8=C(O)C=C(C=C85)C(=O)O)C(=O)O)C(O)C(O)C1O

Other Names for this Substance

  • [9,9′-Bianthracene]-2,2′-dicarboxylic acid, 5-[[6-O-(carboxycarbonyl)-β-D-glucopyranosyl]oxy]-5′-(β-D-glucopyranosyloxy)-4,4′-dihydroxy-9,9′,10,10′-tetrahydro-10,10′-dioxo-, (9R,9′R)-
  • (9R,9′R)-5-[[6-O-(Carboxycarbonyl)-β-D-glucopyranosyl]oxy]-5′-(β-D-glucopyranosyloxy)-4,4′-dihydroxy-9,9′,10,10′-tetrahydro-10,10′-dioxo[9,9′-bianthracene]-2,2′-dicarboxylic acid

CAS INSIGHTSTM
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