β-D-Glucopyranose, cyclic 4,6-[(1S)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate] 1-[2-[5-[[[4,6-O-[[(1S)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-diyl]dicarbonyl]-2,3-bis-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]oxy]carbonyl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoate] 2,3-bis(3,4,5-trihydroxybenzoate)

CAS Registry Number®

89871-78-3

CAS Name

β-D-Glucopyranose, cyclic 4,6-[(1S)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate] 1-[2-[5-[[[4,6-O-[[(1S)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-diyl]dicarbonyl]-2,3-bis-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]oxy]carbonyl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoate] 2,3-bis(3,4,5-trihydroxybenzoate)

Molecular Formula

C82H58O52

Molecular Mass

1875.31

Cite this Page

β-D-Glucopyranose, cyclic 4,6-[(1S)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate] 1-[2-[5-[[[4,6-O-[[(1S)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-diyl]dicarbonyl]-2,3-bis-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]oxy]carbonyl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoate] 2,3-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=89871-78-3 (retrieved 2024-11-25) (CAS RN: 89871-78-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C82H58O52/c83-28-1-18(2-29(84)49(28)97)71(112)129-67-65-43(16-122-76(117)23-11-37(92)54(102)59(107)45(23)47-25(78(119)127-65)13-39(94)56(104)61(47)109)125-81(69(67)131-73(114)20-5-32(87)51(99)33(88)6-20)133-75(116)22-9-36(91)53(101)42(10-22)124-64-27(15-41(96)58(106)63(64)111)80(121)134-82-70(132-74(115)21-7-34(89)52(100)35(90)8-21)68(130-72(113)19-3-30(85)50(98)31(86)4-19)66-44(126-82)17-123-77(118)24-12-38(93)55(103)60(108)46(24)48-26(79(120)128-66)14-40(95)57(105)62(48)110/h1-15,43-44,65-70,81-111H,16-17H2

InChIKey

InChIKey=BGZMXYWCTRIUII-UHFFFAOYSA-N

SMILES

O(C(=O)C1=CC(O)=C(O)C(O)=C1)C2C3C(OC(OC(=O)C4=C(OC5=CC(C(OC6C(OC(=O)C7=CC(O)=C(O)C(O)=C7)C(OC(=O)C8=CC(O)=C(O)C(O)=C8)C9C(O6)COC(=O)C=%10C(C=%11C(C(=O)O9)=CC(O)=C(O)C%11O)=C(O)C(O)=C(O)C%10)=O)=CC(O)=C5O)C(O)=C(O)C(O)=C4)C2OC(=O)C%12=CC(O)=C(O)C(O)=C%12)COC(=O)C=%13C(C=%14C(C(=O)O3)=CC(O)=C(O)C%14O)=C(O)C(O)=C(O)C%13

Canonical SMILES

O=C1OCC2OC(OC(=O)C3=CC(O)=C(O)C(OC4=C(O)C(O)=C(O)C=C4C(=O)OC5OC6COC(=O)C7=CC(O)=C(O)C(O)=C7C8=C(O)C(O)=C(O)C=C8C(=O)OC6C(OC(=O)C9=CC(O)=C(O)C(O)=C9)C5OC(=O)C%10=CC(O)=C(O)C(O)=C%10)=C3)C(OC(=O)C%11=CC(O)=C(O)C(O)=C%11)C(OC(=O)C%12=CC(O)=C(O)C(O)=C%12)C2OC(=O)C%13=CC(O)=C(O)C(O)=C%13C%14=C(O)C(O)=C(O)C=C1%14

Other Names for this Substance

  • β-D-Glucopyranose, cyclic 4,6-[(1S)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate] 1-[2-[5-[[[4,6-O-[[(1S)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-diyl]dicarbonyl]-2,3-bis-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]oxy]carbonyl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoate] 2,3-bis(3,4,5-trihydroxybenzoate)
  • β-D-Glucopyranose, cyclic 4,6-(4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate) 1-[2-[5-[[[4,6-O-[(4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-diyl)dicarbonyl]-2,3-bis-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]oxy]carbonyl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoate] 2,3-bis(3,4,5-trihydroxybenzoate), [1(S),4(S)]-
  • Dibenzo[g,i]pyrano[3,2-b][1,5]dioxacycloundecin, β-D-glucopyranose deriv.
  • Coriariin A

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