5-[(2R,2′S,3R,3′S)-5-[(1E)-2-[3-(3,5-Dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-4-benzofuranyl]ethenyl]-2,2′,3,3′-tetrahydro-6′-hydroxy-2,2′-bis(4-hydroxyphenyl)[3,4′-bibenzofuran]-3′-yl]-1,3-benzenediol

CAS Registry Number®

223558-40-5

CAS Name

5-[(2R,2′S,3R,3′S)-5-[(1E)-2-[3-(3,5-Dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-4-benzofuranyl]ethenyl]-2,2′,3,3′-tetrahydro-6′-hydroxy-2,2′-bis(4-hydroxyphenyl)[3,4′-bibenzofuran]-3′-yl]-1,3-benzenediol

Molecular Formula

C56H40O12

Molecular Mass

904.91

Cite this Page

5-[(2R,2′S,3R,3′S)-5-[(1E)-2-[3-(3,5-Dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-4-benzofuranyl]ethenyl]-2,2′,3,3′-tetrahydro-6′-hydroxy-2,2′-bis(4-hydroxyphenyl)[3,4′-bibenzofuran]-3′-yl]-1,3-benzenediol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=223558-40-5 (retrieved 2025-02-19) (CAS RN: 223558-40-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C56H40O12/c57-35-10-4-29(5-11-35)54-50(33-19-38(60)23-39(61)20-33)49-32(18-42(64)26-47(49)67-54)3-1-28-2-16-46-44(17-28)52(56(66-46)31-8-14-37(59)15-9-31)45-25-43(65)27-48-53(45)51(34-21-40(62)24-41(63)22-34)55(68-48)30-6-12-36(58)13-7-30/h1-27,51-52,55-65H/b3-1+/t51-,52-,55+,56-/m0/s1

InChIKey

InChIKey=RBEDFIPDONMHBV-VUIIBDILSA-N

SMILES

OC1=CC(=C2[C@@H]([C@H](OC2=C1)C3=CC=C(O)C=C3)C4=CC(O)=CC(O)=C4)[C@@H]5C=6C(O[C@H]5C7=CC=C(O)C=C7)=CC=C(/C=C/C8=C9C(=C(OC9=CC(O)=C8)C%10=CC=C(O)C=C%10)C%11=CC(O)=CC(O)=C%11)C6

Canonical SMILES

OC=1C=CC(=CC1)C=2OC=3C=C(O)C=C(C=CC4=CC=C5OC(C6=CC=C(O)C=C6)C(C5=C4)C=7C=C(O)C=C8OC(C9=CC=C(O)C=C9)C(C=%10C=C(O)C=C(O)C%10)C87)C3C2C=%11C=C(O)C=C(O)C%11

Other Names for this Substance

  • 1,3-Benzenediol, 5-[(2R,2′S,3R,3′S)-5-[(1E)-2-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-4-benzofuranyl]ethenyl]-2,2′,3,3′-tetrahydro-6′-hydroxy-2,2′-bis(4-hydroxyphenyl)[3,4′-bibenzofuran]-3′-yl]-
  • 5-[(2R,2′S,3R,3′S)-5-[(1E)-2-[3-(3,5-Dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-4-benzofuranyl]ethenyl]-2,2′,3,3′-tetrahydro-6′-hydroxy-2,2′-bis(4-hydroxyphenyl)[3,4′-bibenzofuran]-3′-yl]-1,3-benzenediol
  • (-)-Vitisifuran B
  • Vitisifuran B

CAS INSIGHTSTM
Lithium-ion battery