(2R-(2alpha,3alpha,4beta(2R*,3S*),8beta,14beta,15R*))-4-(3,4-Dihydro-3,5,7-Trihydroxy-2-(4-Hydroxyphenyl)-2H-1-Benzopyran-8-Yl)-3,4-Dihydro-2,8-Bis(4-Hydroxyphenyl)-8,14-Methano-2H,14H-1-Benzopyrano(7,8-D)(1,3)Benzodioxocin-3,5,11,13,15-Pentol
[CAS# 152378-18-2]

Identification

• Name: (2R-(2alpha,3alpha,4beta(2R*,3S*),8beta,14beta,15R*))-4-(3,4-Dihydro-3,5,7-Trihydroxy-2-(4-Hydroxyphenyl)-2H-1-Benzopyran-8-Yl)-3,4-Dihydro-2,8-Bis(4-Hydroxyphenyl)-8,14-Methano-2H,14H-1-Benzopyrano(7,8-D)(1,3)Benzodioxocin-3,5,11,13,15-Pentol
• Synonyms: Epiafzelechin-(4Beta-8,2Beta-0-7)-Epiafzelechin-(4Beta-8)-Afzelechin; Selligueain A
• Molecular Formula: C₄₅H₃₆O₁₅
• Molecular Weight: 816.77
• CAS Registry Number: 152378-18-2
• SMILES: [C@@H]18C(O)[C@@](OC2=C1C3=C(C(=C2)O)[C@@H]([C@@H](O)[C@H](O3)C4=CC=C(O)C=C4)C5=C(O)C=C(O)C6=C5O[C@@H]([C@@H](O)C6)C7=CC=C(O)C=C7)(OC9=CC(=CC(=C89)O)O)C%10=CC=C(O)C=C%10
• InChI: 1S/C45H36O15/c46-21-7-1-18(2-8-21)40-30(54)15-25-26(50)16-28(52)34(42(25)57-40)37-35-29(53)17-32-36(43(35)58-41(39(37)55)19-3-9-22(47)10-4-19)38-33-27(51)13-24(49)14-31(33)59-45(60-32,44(38)56)20-5-11-23(48)12-6-20/h1-14,16-17,30,37-41,44,46-56H,15H2/t30-,37-,38-,39+,40+,41+,44?,45+/m0/s1
• InChIKey: PMDYNLFGCCRGRX-NSJNBNEDSA-N

Properties

• Density: 1.674g/cm³ (Cal.)