6''-O-Acetylgenistin
[CAS# 73566-30-0]

Identification

• Classification: Biochemical >> Chinese herbal medicine ingredients
• Name: 6''-O-Acetylgenistin
• Synonyms: [(2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[5-Hydroxy-3-(4-Hydroxyphenyl)-4-Oxo-Chromen-7-Yl]Oxy-Tetrahydropyran-2-Yl]Methyl Acetate; Acetic Acid [(2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[[5-Hydroxy-3-(4-Hydroxyphenyl)-4-Oxo-7-Chromenyl]Oxy]-2-Tetrahydropyranyl]Methyl Ester; Acetic Acid [(2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[5-Hydroxy-3-(4-Hydroxyphenyl)-4-Keto-Chromen-7-Yl]Oxy-Tetrahydropyran-2-Yl]Methyl Ester
• Molecular Formula: C₂₃H₂₂O₁₁
• Molecular Weight: 474.42
• CAS Registry Number: 73566-30-0
• SMILES: [C@H]4(OC2=CC(=C1C(C(=COC1=C2)C3=CC=C(C=C3)O)=O)O)[C@@H]([C@@H](O)[C@@H]([C@H](O4)COC(=O)C)O)O
• InChI: 1S/C23H22O11/c1-10(24)31-9-17-20(28)21(29)22(30)23(34-17)33-13-6-15(26)18-16(7-13)32-8-14(19(18)27)11-2-4-12(25)5-3-11/h2-8,17,20-23,25-26,28-30H,9H2,1H3/t17-,20-,21+,22-,23-/m1/s1
• InChIKey: DXWGBJJLEDQBKS-LDBVRRDLSA-N

Properties

• Density: 1.57g/cm³ (Cal.)
• Boiling point: 772.098°C at 760 mmHg (Cal.)
• Flash point: 268.431°C (Cal.)