[1,1′-Biphenyl]-2-carboxylic acid, 6′-[(2R,3R)-3,4-dihydro-5,7-dihydroxy-3-[(3,4,5-trihydroxybenzoyl)oxy]-2H-1-benzopyran-2-yl]-2′,3′,4,4′,5,6-hexahydroxy-, (1R,2R,3R,5S)-5-carboxy-2,3,5-trihydroxycyclohexyl ester, (1R)-

CAS Registry Number®

144207-58-9

CAS Name

[1,1′-Biphenyl]-2-carboxylic acid, 6′-[(2R,3R)-3,4-dihydro-5,7-dihydroxy-3-[(3,4,5-trihydroxybenzoyl)oxy]-2H-1-benzopyran-2-yl]-2′,3′,4,4′,5,6-hexahydroxy-, (1R,2R,3R,5S)-5-carboxy-2,3,5-trihydroxycyclohexyl ester, (1R)-

Molecular Formula

C36H32O21

Molecular Mass

800.63

Cite this Page

[1,1′-Biphenyl]-2-carboxylic acid, 6′-[(2R,3R)-3,4-dihydro-5,7-dihydroxy-3-[(3,4,5-trihydroxybenzoyl)oxy]-2H-1-benzopyran-2-yl]-2′,3′,4,4′,5,6-hexahydroxy-, (1R,2R,3R,5S)-5-carboxy-2,3,5-trihydroxycyclohexyl ester, (1R)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=144207-58-9 (retrieved 2024-11-05) (CAS RN: 144207-58-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C36H32O21/c37-11-3-15(38)12-7-22(56-33(50)10-1-16(39)26(44)17(40)2-10)32(55-21(12)4-11)13-5-18(41)28(46)30(48)24(13)25-14(6-19(42)29(47)31(25)49)34(51)57-23-9-36(54,35(52)53)8-20(43)27(23)45/h1-6,20,22-23,27,32,37-49,54H,7-9H2,(H,52,53)

InChIKey

InChIKey=YTEPTVNKATZITA-UHFFFAOYSA-N

SMILES

OC=1C(=C(C=C(O)C1O)C2C(OC(=O)C3=CC(O)=C(O)C(O)=C3)CC=4C(O2)=CC(O)=CC4O)C5=C(C(OC6CC(C(O)=O)(O)CC(O)C6O)=O)C=C(O)C(O)=C5O

Canonical SMILES

O=C(O)C1(O)CC(O)C(O)C(OC(=O)C=2C=C(O)C(O)=C(O)C2C3=C(O)C(O)=C(O)C=C3C4OC=5C=C(O)C=C(O)C5CC4OC(=O)C6=CC(O)=C(O)C(O)=C6)C1

Other Names for this Substance

  • [1,1′-Biphenyl]-2-carboxylic acid, 6′-[(2R,3R)-3,4-dihydro-5,7-dihydroxy-3-[(3,4,5-trihydroxybenzoyl)oxy]-2H-1-benzopyran-2-yl]-2′,3′,4,4′,5,6-hexahydroxy-, (1R,2R,3R,5S)-5-carboxy-2,3,5-trihydroxycyclohexyl ester, (1R)-
  • [1,1′-Biphenyl]-2-carboxylic acid, 6′-[3,4-dihydro-5,7-dihydroxy-3-[(3,4,5-trihydroxybenzoyl)oxy]-2H-1-benzopyran-2-yl]-2′,3′,4,4′,5,6-hexahydroxy-, 5-carboxy-2,3,5-trihydroxycyclohexyl ester, stereoisomer
  • Theogallinin
  • (-)-Theogallinin

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