1,1′-[Methylenebis[(2R,3R)-3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-8,3-diyl]] bis(3,4,5-trihydroxybenzoate)

CAS Registry Number®

126737-60-8
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CAS Name

1,1′-[Methylenebis[(2R,3R)-3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-8,3-diyl]] bis(3,4,5-trihydroxybenzoate)

Molecular Formula

C45H36O22

Molecular Mass

928.75

Cite this Page

1,1′-[Methylenebis[(2R,3R)-3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-8,3-diyl]] bis(3,4,5-trihydroxybenzoate).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=126737-60-8 (retrieved 2024-09-19) (CAS RN: 126737-60-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C45H36O22/c46-22-12-24(48)20-10-34(64-44(62)16-5-30(54)38(60)31(55)6-16)40(14-1-26(50)36(58)27(51)2-14)66-42(20)18(22)9-19-23(47)13-25(49)21-11-35(65-45(63)17-7-32(56)39(61)33(57)8-17)41(67-43(19)21)15-3-28(52)37(59)29(53)4-15/h1-8,12-13,34-35,40-41,46-61H,9-11H2/t34-,35-,40-,41-/m1/s1

InChIKey

InChIKey=BJFGFQSYHAXQPO-NBNGAXDASA-N

SMILES

C(C1=C2C(C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](O2)C4=CC(O)=C(O)C(O)=C4)=C(O)C=C1O)C5=C6C(C[C@@H](OC(=O)C7=CC(O)=C(O)C(O)=C7)[C@H](O6)C8=CC(O)=C(O)C(O)=C8)=C(O)C=C5O

Canonical SMILES

O=C(OC1CC=2C(O)=CC(O)=C(C2OC1C3=CC(O)=C(O)C(O)=C3)CC4=C(O)C=C(O)C5=C4OC(C6=CC(O)=C(O)C(O)=C6)C(OC(=O)C7=CC(O)=C(O)C(O)=C7)C5)C8=CC(O)=C(O)C(O)=C8

Other Names for this Substance

  • Benzoic acid, 3,4,5-trihydroxy-, 1,1′-[methylenebis[(2R,3R)-3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-8,3-diyl]] ester
  • Benzoic acid, 3,4,5-trihydroxy-, methylenebis[3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-8,3-diyl] ester, [2R-[2α,3α,8(2R*,3R*)]]-
  • Benzoic acid, 3,4,5-trihydroxy-, methylenebis[(2R,3R)-3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-8,3-diyl] ester
  • 1,1′-[Methylenebis[(2R,3R)-3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-8,3-diyl]] bis(3,4,5-trihydroxybenzoate)
  • Oolonghomobisflavan A

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