Procyanidin C1

CAS Registry Number®

37064-30-5

CAS Name

Procyanidin C1

Molecular Formula

C45H38O18

Molecular Mass

866.77

Cite this Page

Procyanidin C1.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=65085-09-8 (retrieved 2024-11-24) (CAS RN: 37064-30-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37-,38+,39-,40-,41-,42-,43-/m1/s1

InChIKey

InChIKey=MOJZMWJRUKIQGL-XILRTYJMSA-N

SMILES

OC1=C2C(=C(C(O)=C1)[C@H]3C=4C(O[C@@H]([C@@H]3O)C5=CC(O)=C(O)C=C5)=CC(O)=CC4O)O[C@@H]([C@H](O)[C@H]2C6=C7C(C[C@@H](O)[C@H](O7)C8=CC(O)=C(O)C=C8)=C(O)C=C6O)C9=CC(O)=C(O)C=C9

Canonical SMILES

OC=1C=C(O)C2=C(OC(C3=CC=C(O)C(O)=C3)C(O)C2C4=C(O)C=C(O)C5=C4OC(C6=CC=C(O)C(O)=C6)C(O)C5C=7C(O)=CC(O)=C8C7OC(C9=CC=C(O)C(O)=C9)C(O)C8)C1

Other Names for this Substance

  • [4,8′:4′,8′′-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′,8′′-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′,8′′-ter-2H-1-benzopyran]-3,3′,3′′,5,5′,5′′,7,7′,7′′-nonol
  • Procyanidin C1
  • Procyanidol C1

View All

Deleted or Replaced CAS Registry Numbers

65085-09-8

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