CAS Registry Number®
128-57-4
CAS Name
Sennoside B
Molecular Formula
C42H38O20
Molecular Mass
862.74
Other Names and Identifiers
InChI
InChI=1S/C42H38O20/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)/t23-,24-,25-,26+,31-,32-,35+,36+,37-,38-,41-,42-/m1/s1
InChIKey
InChIKey=IPQVTOJGNYVQEO-AIFLABODSA-N
SMILES
O=C1C=2C([C@@](C=3C1=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=CC3)([C@@]5(C=6C(C(=O)C=7C5=CC=CC7O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)=C(O)C=C(C(O)=O)C6)[H])[H])=CC(C(O)=O)=CC2O
Canonical SMILES
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-, (9R,9′S)-
- Sennoside B
- [9,9′-Bianthracene]-2,2′-dicarboxylic acid, 5,5′-bis(β-D-glucopyranosyloxy)-9,9′,10,10′-tetrahydro-4,4′-dihydroxy-10,10′-dioxo-, (R*,S*)-
- (9R,9′S)-5,5′-Bis(β-D-glucopyranosyloxy)-9,9′,10,10′-tetrahydro-4,4′-dihydroxy-10,10′-dioxo[9,9′-bianthracene]-2,2′-dicarboxylic acid
Deleted or Replaced CAS Registry Numbers
1344-35-0
