(9R,9'R)-4,4'-Dihydroxy-10,10'-Dioxo-5,5'-Bis(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-Yl)Oxy)-9,9',10,10'-Tetrahydro-[9,9'-Bianthracene]-2,2'-Dicarboxylic Acid
Request a quote| Catalog Number | ACM81276 |
| Product Name | (9R,9'R)-4,4'-Dihydroxy-10,10'-Dioxo-5,5'-Bis(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-Yl)Oxy)-9,9',10,10'-Tetrahydro-[9,9'-Bianthracene]-2,2'-Dicarboxylic Acid |
| CAS Number | 81-27-6 |
| Structure | ![(9R,9'R)-4,4'-Dihydroxy-10,10'-Dioxo-5,5'-Bis(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-Yl)Oxy)-9,9',10,10'-Tetrahydro-[9,9'-Bianthracene]-2,2'-Dicarboxylic Acid](https://resource.alfa-chemistry.com/structure/81-27-6.gif) |
| IUPAC Name | (9R)-9-[(9R)-2-carboxy-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylic acid |
| Synonyms | Sennoside A |
| Molecular Weight | 862.74 |
| Molecular Formula | C42H38O20 |
| Canonical SMILES | C1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C4=C([C@@H]2[C@@H]5C6=C(C(=CC=C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)O)C=C(C=C4O)C(=O)O |
| 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 | IPQVTOJGNYVQEO-KGFNBKMBSA-N |
| Boiling Point | 1144.8 °C at 760 mmHg |
| Melting Point | 200-240 ºC |
| Flash Point | 348.6±27.8 °C |
| Purity | 95% |
| Density | 1.7±0.1 g/cm3 |
| Appearance | Yellow crystallized powder |
| Refractive Index | 1.763 |
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