CAS | 4773-96-0 |
Structure | |
Synonyms | Chedisaride |
IUPAC Name | 1,3,6,7-Tetrahydroxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one |
Molecular Weight | 422.34 |
Molecular Formula | C19H18O11 |
Canonical SMILES | C1=C2C(=CC(=C1O)O)OC3=C(C2=O)C(=C(C(=C3)O)C4C(C(C(C(O4)CO)O)O)O)O |
InChI | InChI=1S/C19H18O11/c20-4-11-15(25)17(27)18(28)19(30-11)12-8(23)3-10-13(16(12)26)14(24)5-1-6(21)7(22)2-9(5)29-10/h1-3,11,15,17-23,25-28H,4H2/t11-,15-,17+,18-,19+/m1/s1 |
InChI Key | AEDDIBAIWPIIBD-ZJKJAXBQSA-N |
Boiling Point | 842.7±65.0 °C |
Melting Point | 269-270 °C |
Flash Point | 303.6 °C |
Purity | 98%+ |
Density | 1.843±0.06 g/cm³ |
Refractive Index | 1.788 |
pKa | 6.09±0.20(Predicted) |
Appearance | Pale yellow solid |
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