1,1′-[(2R,3R)-6-[[(2R,3R)-3,4-Dihydro-5,7-dihydroxy-3-[(3,4,5-trihydroxybenzoyl)oxy]-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-8-yl]methyl]-3,4-dihydro-5-hydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3,7-diyl] bis(3,4,5-trihydroxybenzoate)

CAS Registry Number®

126715-88-6

CAS Name

1,1′-[(2R,3R)-6-[[(2R,3R)-3,4-Dihydro-5,7-dihydroxy-3-[(3,4,5-trihydroxybenzoyl)oxy]-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-8-yl]methyl]-3,4-dihydro-5-hydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3,7-diyl] bis(3,4,5-trihydroxybenzoate)

Molecular Formula

C52H40O26

Molecular Mass

1080.86

Cite this Page

1,1′-[(2R,3R)-6-[[(2R,3R)-3,4-Dihydro-5,7-dihydroxy-3-[(3,4,5-trihydroxybenzoyl)oxy]-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-8-yl]methyl]-3,4-dihydro-5-hydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3,7-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=126715-88-6 (retrieved 2024-11-08) (CAS RN: 126715-88-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C52H40O26/c53-25-14-26(54)22-12-39(76-51(72)19-7-33(61)45(69)34(62)8-19)48(17-3-29(57)43(67)30(58)4-17)78-49(22)21(25)11-23-38(75-50(71)18-5-31(59)44(68)32(60)6-18)15-37-24(41(23)65)13-40(47(74-37)16-1-27(55)42(66)28(56)2-16)77-52(73)20-9-35(63)46(70)36(64)10-20/h1-10,14-15,39-40,47-48,53-70H,11-13H2

InChIKey

InChIKey=NWZFOPSOWXYKOA-UHFFFAOYSA-N

SMILES

C(C1=C2C(CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O2)C4=CC(O)=C(O)C(O)=C4)=C(O)C=C1O)C5=C(OC(=O)C6=CC(O)=C(O)C(O)=C6)C=C7C(=C5O)CC(OC(=O)C8=CC(O)=C(O)C(O)=C8)C(O7)C9=CC(O)=C(O)C(O)=C9

Canonical SMILES

O=C(OC=1C=C2OC(C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C4=CC(O)=C(O)C(O)=C4)CC2=C(O)C1CC5=C(O)C=C(O)C6=C5OC(C7=CC(O)=C(O)C(O)=C7)C(OC(=O)C8=CC(O)=C(O)C(O)=C8)C6)C9=CC(O)=C(O)C(O)=C9

Other Names for this Substance

  • Benzoic acid, 3,4,5-trihydroxy-, 1,1′-[(2R,3R)-6-[[(2R,3R)-3,4-dihydro-5,7-dihydroxy-3-[(3,4,5-trihydroxybenzoyl)oxy]-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-8-yl]methyl]-3,4-dihydro-5-hydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3,7-diyl] ester
  • Benzoic acid, 3,4,5-trihydroxy-, 6-[[3,4-dihydro-5,7-dihydroxy-3-[(3,4,5-trihydroxybenzoyl)oxy]-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-8-yl]methyl]-3,4-dihydro-5-hydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3,7-diyl ester, [2R-[2α,3α,6(2R*,3R*)]]-
  • Benzoic acid, 3,4,5-trihydroxy-, (2R,3R)-6-[[(2R,3R)-3,4-dihydro-5,7-dihydroxy-3-[(3,4,5-trihydroxybenzoyl)oxy]-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-8-yl]methyl]-3,4-dihydro-5-hydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3,7-diyl ester
  • 1,1′-[(2R,3R)-6-[[(2R,3R)-3,4-Dihydro-5,7-dihydroxy-3-[(3,4,5-trihydroxybenzoyl)oxy]-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-8-yl]methyl]-3,4-dihydro-5-hydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3,7-diyl] bis(3,4,5-trihydroxybenzoate)
  • Oolonghomobisflavan B

CAS INSIGHTSTM
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