Proanthocyanidin
[CAS# 18206-61-6]

Identification

• Name: Proanthocyanidin
• Synonyms: (2R,3R,4R)-4-[(3R)-2-(3,5-Dihydroxy-4-Methoxy-Phenyl)-3,5,7-Trihydroxy-Chroman-8-Yl]-2-(4-Hydroxyphenyl)Chroman-3,5,7-Triol; (2R,3R,4R)-4-[(3R)-2-(3,5-Dihydroxy-4-Methoxyphenyl)-3,5,7-Trihydroxy-8-Chromanyl]-2-(4-Hydroxyphenyl)Chroman-3,5,7-Triol; (4,8'-Bi-2H-1-Benzopyran)-3,3',5,5',7,7'-Hexol, 2'-(3,5-Dihydroxy-4-Methoxyphenyl)-3,3',4,4'-Tetrahydro-2-(4-Hydroxyphenyl)-, (2R,2'R,3R,3'R,4R)-
• Molecular Formula: C₃₁H₂₈O₁₂
• Molecular Weight: 592.56
• CAS Registry Number: 18206-61-6
• SMILES: [C@@H]2(OC1=CC(=CC(=C1[C@@H]([C@H]2O)C3=C(C=C(C4=C3OC([C@@H](C4)O)C5=CC(=C(C(=C5)O)OC)O)O)O)O)O)C6=CC=C(C=C6)O
• InChI: 1S/C31H28O12/c1-41-31-20(37)6-13(7-21(31)38)28-22(39)10-16-17(34)11-19(36)25(30(16)43-28)26-24-18(35)8-15(33)9-23(24)42-29(27(26)40)12-2-4-14(32)5-3-12/h2-9,11,22,26-29,32-40H,10H2,1H3/t22-,26-,27-,28?,29-/m1/s1
• InChIKey: JPFCOVZKLAXXOE-XBNSMERZSA-N

Properties

• Density: 1.625g/cm³ (Cal.)
• Boiling point: 856.613°C at 760 mmHg (Cal.)
• Flash point: 471.863°C (Cal.)