[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:?), (9R,9′R)-rel-
CAS Registry Number®
52730-36-6
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CAS Name
[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:?), (9R,9′R)-rel-Molecular Formula
C42H38O20.xCaCite this Page
[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:?), (9R,9′R)-rel-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=52730-36-6 (retrieved ) (CAS RN: 52730-36-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
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);
InChIKey
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]
Canonical SMILES
[Ca].O=C(O)C1=CC(O)=C2C(=O)C=3C(OC4OC(CO)C(O)C(O)C4O)=CC=CC3C(C2=C1)C5C=6C=CC=C(OC7OC(CO)C(O)C(O)C7O)C6C(=O)C8=C(O)C=C(C=C85)C(=O)O
Other Names for this Substance
- [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:?), (9R,9′R)-rel-
- [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, (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, (9R,9′R)-
- Sennoside A calcium salt
