Isoamericanin A
[CAS# 69506-79-2]

Identification

• Name: Isoamericanin A
• Synonyms: (E)-3-[3-(3,4-Dihydroxyphenyl)-2-(Hydroxymethyl)-2,3-Dihydro-1,4-Benzodioxin-7-Yl]Prop-2-Enal; (E)-3-[3-(3,4-Dihydroxyphenyl)-2-Methylol-2,3-Dihydro-1,4-Benzodioxin-7-Yl]Acrolein; 3-[3-(3,4-Dihydroxyphenyl)-2-Methylol-2,3-Dihydro-1,4-Benzodioxin-7-Yl]Acrolein
• Molecular Formula: C₁₈H₁₆O₆
• Molecular Weight: 328.32
• CAS Registry Number: 69506-79-2
• SMILES: C2=C1OC(C(OC1=CC=C2\C=C\C=O)C3=CC=C(O)C(=C3)O)CO
• InChI: 1S/C18H16O6/c19-7-1-2-11-3-6-15-16(8-11)23-17(10-20)18(24-15)12-4-5-13(21)14(22)9-12/h1-9,17-18,20-22H,10H2/b2-1+
• InChIKey: NTXXGPYGMQQSML-OWOJBTEDSA-N

Properties

• Density: 1.39g/cm³ (Cal.)
• Boiling point: 600.547°C at 760 mmHg (Cal.)
• Flash point: 222.777°C (Cal.)