(3S)-3-(2,4,5-Trimethoxyphenyl)Chroman-7,8-Diol
[CAS# 140455-97-6]

Identification

• Name: (3S)-3-(2,4,5-Trimethoxyphenyl)Chroman-7,8-Diol
• Synonyms: 2H-1-Benzopyran-7,8-Diol, 3,4-Dihydro-3-(2,4,5-Trimethoxyphenyl)-, (S)-; 7,8-Dihydroxy-2',4',5'-Trimethoxyisoflavan; Cocus I
• Molecular Formula: C₁₈H₂₀O₆
• Molecular Weight: 332.35
• CAS Registry Number: 140455-97-6
• SMILES: [C@@H]2(C1=C(OC)C=C(OC)C(=C1)OC)CC3=C(OC2)C(=C(O)C=C3)O
• InChI: 1S/C18H20O6/c1-21-14-8-16(23-3)15(22-2)7-12(14)11-6-10-4-5-13(19)17(20)18(10)24-9-11/h4-5,7-8,11,19-20H,6,9H2,1-3H3/t11-/m1/s1
• InChIKey: ZRLWPQMAJQKTFX-LLVKDONJSA-N

Properties

• Density: 1.277g/cm³ (Cal.)
• Boiling point: 495.348°C at 760 mmHg (Cal.)
• Flash point: 253.377°C (Cal.)