Cornuside

• Catalog Number: ACM131189576
• Product Name: Cornuside
• CAS: 131189-57-6
• Category: Heterocyclic Organic Compound
• Synonyms: 7-O-Galloylsecologanol
• IUPAC Name: Methyl (2S,3R,4S)-3-ethenyl-4-[2-(3,4,5-trihydroxybenzoyl)oxyethyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
• Molecular Weight: 542.49
• Molecular Formula: C34H50O20
• Canonical SMILES: COC(=O)C1=CO[C@H]([C@@H]([C@@H]1CCOC(=O)C2=CC(=C(C(=C2)O)O)O)C=C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
• InChI: InChI=1S/C24H30O14/c1-3-11-12(4-5-35-21(32)10-6-14(26)17(28)15(27)7-10)13(22(33)34-2)9-36-23(11)38-24-20(31)19(30)18(29)16(8-25)37-24/h3,6-7,9,11-12,16,18-20,23-31H,1,4-5,8H2,2H3/t11-,12+,16-,18-,19+,20-,23+,24+/m1/s1
• InChI Key: SMTKSCGLXONVGL-UPIRYGIPSA-N
• Boiling Point: 817.6±65.0 °C
• Density: 1.58±0.1 g/ml
• Appearance: Powder
• pKa: 7.90±0.25