β-D-Glucopyranose, 1,2,3-tris(3,4,5-trihydroxybenzoate), cyclic 4→1:6→6′-ester with 9-(6-carboxy-2,3,4-trihydroxyphenoxy)-3,4,8,10-tetrahydroxy-6-oxo-6H-dibenzo[b,d]pyran-1-carboxylic acid

CAS Registry Number®

124854-12-2

CAS Name

β-D-Glucopyranose, 1,2,3-tris(3,4,5-trihydroxybenzoate), cyclic 4→1:6→6′-ester with 9-(6-carboxy-2,3,4-trihydroxyphenoxy)-3,4,8,10-tetrahydroxy-6-oxo-6H-dibenzo[b,d]pyran-1-carboxylic acid

Molecular Formula

C48H32O30

Molecular Mass

1088.75

Cite this Page

β-D-Glucopyranose, 1,2,3-tris(3,4,5-trihydroxybenzoate), cyclic 4→1:6→6′-ester with 9-(6-carboxy-2,3,4-trihydroxyphenoxy)-3,4,8,10-tetrahydroxy-6-oxo-6H-dibenzo[b,d]pyran-1-carboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=124854-12-2 (retrieved 2024-11-26) (CAS RN: 124854-12-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C48H32O30/c49-17-1-11(2-18(50)29(17)58)42(65)76-40-38-26(72-48(78-44(67)13-5-21(53)31(60)22(54)6-13)41(40)77-43(66)12-3-19(51)30(59)20(52)4-12)10-71-45(68)16-9-23(55)32(61)35(64)36(16)73-37-25(57)8-14-27(34(37)63)28-15(47(70)74-38)7-24(56)33(62)39(28)75-46(14)69/h1-9,26,38,40-41,48-64H,10H2/t26-,38-,40+,41-,48+/m1/s1

InChIKey

InChIKey=DOTJYWQAPHIAIF-ATLYOFKDSA-N

SMILES

OC1=C2C=3C=4OC(=O)C2=CC(O)=C1OC=5C(C(=O)OC[C@@]6([C@@](OC(=O)C3C=C(O)C4O)([C@H](OC(=O)C7=CC(O)=C(O)C(O)=C7)[C@@H](OC(=O)C8=CC(O)=C(O)C(O)=C8)[C@H](OC(=O)C9=CC(O)=C(O)C(O)=C9)O6)[H])[H])=CC(O)=C(O)C5O

Canonical SMILES

O=C1OC=2C(O)=C(O)C=C3C(=O)OC4C(OC(OC(=O)C5=CC(O)=C(O)C(O)=C5)C(OC(=O)C6=CC(O)=C(O)C(O)=C6)C4OC(=O)C7=CC(O)=C(O)C(O)=C7)COC(=O)C8=CC(O)=C(O)C(O)=C8OC=9C(O)=CC1=C(C9O)C23

Other Names for this Substance

  • β-D-Glucopyranose, 1,2,3-tris(3,4,5-trihydroxybenzoate), cyclic 4→1:6→6′-ester with 9-(6-carboxy-2,3,4-trihydroxyphenoxy)-3,4,8,10-tetrahydroxy-6-oxo-6H-dibenzo[b,d]pyran-1-carboxylic acid
  • 19,21-Etheno-2H-[1]benzopyrano[4,5-de]pyrano[3,2-i][1,8,12]benzotrioxacyclopentadecin, β-D-glucopyranose deriv.
  • Dibenzo[b,d]pyran, β-D-glucopyranose deriv.
  • Bicornin

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