Acetylgastrodin
[CAS# 59252-47-0]

Identification

• Name: Acetylgastrodin
• Synonyms: [(2S,3R,4S,5R,6R)-2,4,5-Triacetoxy-2-[4-(Acetoxymethyl)Phenyl]-6-(Hydroxymethyl)Tetrahydropyran-3-Yl] Acetate; Acetic Acid [(2S,3R,4S,5R,6R)-2,4,5-Triacetoxy-2-[4-(Acetoxymethyl)Phenyl]-6-(Hydroxymethyl)-3-Tetrahydropyranyl] Ester; Acetic Acid [(2S,3R,4S,5R,6R)-2,4,5-Triacetoxy-2-[4-(Acetoxymethyl)Phenyl]-6-Methylol-Tetrahydropyran-3-Yl] Ester
• Molecular Formula: C₂₃H₂₈O₁₂
• Molecular Weight: 496.47
• CAS Registry Number: 59252-47-0
• SMILES: [C@]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)OC(=O)C)OC(=O)C)OC(=O)C)(OC(=O)C)C2=CC=C(COC(=O)C)C=C2
• InChI: 1S/C23H28O12/c1-12(25)30-11-17-6-8-18(9-7-17)23(34-16(5)29)22(33-15(4)28)21(32-14(3)27)20(31-13(2)26)19(10-24)35-23/h6-9,19-22,24H,10-11H2,1-5H3/t19-,20-,21+,22-,23-/m1/s1
• InChIKey: ZFAXRAALWQSKDW-XNBWIAOKSA-N

Properties

• Density: 1.344g/cm³ (Cal.)
• Boiling point: 565.13°C at 760 mmHg (Cal.)
• Flash point: 183.579°C (Cal.)