(2R-trans)-2-(3,4-Dihydroxyphenyl)-3-(Heptyloxy)-3,4-Dihydro-2H-1-Benzopyran-5,7-Diol
[CAS# 71628-07-4]

Identification

• Name: (2R-trans)-2-(3,4-Dihydroxyphenyl)-3-(Heptyloxy)-3,4-Dihydro-2H-1-Benzopyran-5,7-Diol
• Synonyms: (2R,3S)-2-(3,4-Dihydroxyphenyl)-3-Heptoxy-Chroman-5,7-Diol; Heptyl-3-Catechin; (2R-Trans)-2-(3,4-Dihydroxyphenyl)-3-(Heptyloxy)-3,4-Dihydro-2H-1-Benzopyran-5,7-Diol
• Molecular Formula: C₂₂H₂₈O₆
• Molecular Weight: 388.46
• CAS Registry Number: 71628-07-4
• EINECS: 275-731-3
• SMILES: [C@@H]2(OC1=CC(=CC(=C1C[C@@H]2OCCCCCCC)O)O)C3=CC=C(O)C(=C3)O
• InChI: 1S/C22H28O6/c1-2-3-4-5-6-9-27-21-13-16-18(25)11-15(23)12-20(16)28-22(21)14-7-8-17(24)19(26)10-14/h7-8,10-12,21-26H,2-6,9,13H2,1H3/t21-,22+/m0/s1
• InChIKey: DFUVOFPBVOQUIM-FCHUYYIVSA-N

Properties

• Density: 1.315g/cm³ (Cal.)
• Boiling point: 609.905°C at 760 mmHg (Cal.)
• Flash point: 322.659°C (Cal.)