Cernuoside
[CAS# 480-69-3]

Identification

• Name: Cernuoside
• Synonyms: (2Z)-2-[(3,4-Dihydroxyphenyl)Methylene]-6-Hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Benzofuran-3-One; (2Z)-2-[(3,4-Dihydroxyphenyl)Methylene]-6-Hydroxy-4-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-3-Benzofuranone; (2Z)-2-(3,4-Dihydroxybenzylidene)-6-Hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Benzofuran-3-One
• Molecular Formula: C₂₁H₂₀O₁₁
• Molecular Weight: 448.38
• CAS Registry Number: 480-69-3
• SMILES: [C@H]4(OC3=C2C(/C(=C/C1=CC=C(O)C(=C1)O)OC2=CC(=C3)O)=O)[C@@H]([C@@H](O)[C@@H]([C@H](O4)CO)O)O
• InChI: 1S/C21H20O11/c22-7-15-18(27)19(28)20(29)21(32-15)31-13-6-9(23)5-12-16(13)17(26)14(30-12)4-8-1-2-10(24)11(25)3-8/h1-6,15,18-25,27-29H,7H2/b14-4-/t15-,18-,19+,20-,21-/m1/s1
• InChIKey: ZZERRGHHDDWLEN-YRDFTBLNSA-N

Properties

• Density: 1.75g/cm³ (Cal.)
• Boiling point: 874.663°C at 760 mmHg (Cal.)
• Flash point: 309.42°C (Cal.)