(-)-Epicatechin-[4β→8]-(-)-epicatechin-[4β→6]-epicatechin

CAS Registry Number®

88903-74-6

CAS Name

(-)-Epicatechin-[4β→8]-(-)-epicatechin-[4β→6]-epicatechin

Molecular Formula

C45H38O18

Molecular Mass

866.77

Cite this Page

(-)-Epicatechin-[4β→8]-(-)-epicatechin-[4β→6]-epicatechin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=88903-74-6 (retrieved 2024-11-12) (CAS RN: 88903-74-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C45H38O18/c46-18-10-26(53)33-32(11-18)62-43(16-2-5-21(48)24(51)8-16)40(59)37(33)35-27(54)13-28(55)36-38(41(60)44(63-45(35)36)17-3-6-22(49)25(52)9-17)34-29(56)14-31-19(39(34)58)12-30(57)42(61-31)15-1-4-20(47)23(50)7-15/h1-11,13-14,30,37-38,40-44,46-60H,12H2/t30-,37-,38+,40-,41-,42-,43-,44-/m1/s1

InChIKey

InChIKey=PBYRKMXDROOXMU-KCXYZFMFSA-N

SMILES

OC=1C(=C2C([C@@H]([C@@H](O)[C@H](O2)C3=CC(O)=C(O)C=C3)C=4C(O)=C5C(=CC4O)O[C@@H]([C@H](O)C5)C6=CC(O)=C(O)C=C6)=C(O)C1)[C@H]7C=8C(O[C@@H]([C@@H]7O)C9=CC(O)=C(O)C=C9)=CC(O)=CC8O

Canonical SMILES

OC=1C=C(O)C2=C(OC(C3=CC=C(O)C(O)=C3)C(O)C2C=4C(O)=CC(O)=C5C4OC(C6=CC=C(O)C(O)=C6)C(O)C5C7=C(O)C=C8OC(C9=CC=C(O)C(O)=C9)C(O)CC8=C7O)C1

Other Names for this Substance

  • [4,8′:4′,6′′-Ter-2H-1-benzopyran]-3,3′,3′′,5,5′,5′′,7,7′,7′′-nonol, 2,2′,2′′-tris(3,4-dihydroxyphenyl)-3,3′,3′′,4,4′,4′′-hexahydro-, (2R,2′R,2′′R,3R,3′R,3′′R,4R,4′S)-
  • [4,8′:4′,6′′-Ter-2H-1-benzopyran]-3,3′,3′′,5,5′,5′′,7,7′,7′′-nonol, 2,2′,2′′-tris(3,4-dihydroxyphenyl)-3,3′,3′′,4,4′,4′′-hexahydro-, [2R-[2α,3α,4β[2′R*,3′R*,4′S*(2′′R*,3′′R*)]]]-
  • (2R,2′R,2′′R,3R,3′R,3′′R,4R,4′S)-2,2′,2′′-Tris(3,4-dihydroxyphenyl)-3,3′,3′′,4,4′,4′′-hexahydro[4,8′:4′,6′′-ter-2H-1-benzopyran]-3,3′,3′′,5,5′,5′′,7,7′,7′′-nonol
  • (-)-Epicatechin-[4β→8]-(-)-epicatechin-[4β→6]-epicatechin

CAS INSIGHTSTM
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