β-D-Glucopyranose, cyclic 4→7:6→5-[(2S,6S)-3,6-dihydro-2,9,10,11,11-pentahydroxy-3-oxo-2,6-methano-2H-1-benzoxocin-5,7-dicarboxylate] 1,2,3-tris(3,4,5-trihydroxybenzoate)

CAS Registry Number®

58690-20-3

CAS Name

β-D-Glucopyranose, cyclic 4→7:6→5-[(2S,6S)-3,6-dihydro-2,9,10,11,11-pentahydroxy-3-oxo-2,6-methano-2H-1-benzoxocin-5,7-dicarboxylate] 1,2,3-tris(3,4,5-trihydroxybenzoate)

Molecular Formula

C41H30O27

Molecular Mass

954.66

Cite this Page

β-D-Glucopyranose, cyclic 4→7:6→5-[(2S,6S)-3,6-dihydro-2,9,10,11,11-pentahydroxy-3-oxo-2,6-methano-2H-1-benzoxocin-5,7-dicarboxylate] 1,2,3-tris(3,4,5-trihydroxybenzoate).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=58690-20-3 (retrieved 2024-12-22) (CAS RN: 58690-20-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C41H30O27/c42-15-1-10(2-16(43)26(15)50)34(54)65-32-30-22(9-62-37(57)14-8-23(49)41(61)40(59,60)25(14)24-13(38(58)64-30)7-21(48)29(53)31(24)68-41)63-39(67-36(56)12-5-19(46)28(52)20(47)6-12)33(32)66-35(55)11-3-17(44)27(51)18(45)4-11/h1-8,22,25,30,32-33,39,42-48,50-53,59-61H,9H2/t22-,25-,30-,32+,33-,39+,41-/m1/s1

InChIKey

InChIKey=QFJVFTCFAZSXCY-KUZSCSPXSA-N

SMILES

OC1(O)[C@]2(C=3C=4O[C@]1(O)C(=O)C=C2C(=O)OC[C@@]5([C@@](OC(=O)C3C=C(O)C4O)([C@H](OC(=O)C6=CC(O)=C(O)C(O)=C6)[C@@H](OC(=O)C7=CC(O)=C(O)C(O)=C7)[C@H](OC(=O)C8=CC(O)=C(O)C(O)=C8)O5)[H])[H])[H]

Canonical SMILES

O=C(OC1OC2COC(=O)C3=CC(=O)C4(O)OC=5C(O)=C(O)C=C(C(=O)OC2C(OC(=O)C6=CC(O)=C(O)C(O)=C6)C1OC(=O)C7=CC(O)=C(O)C(O)=C7)C5C3C4(O)O)C8=CC(O)=C(O)C(O)=C8

Other Names for this Substance

  • β-D-Glucopyranose, cyclic 4→7:6→5-[(2S,6S)-3,6-dihydro-2,9,10,11,11-pentahydroxy-3-oxo-2,6-methano-2H-1-benzoxocin-5,7-dicarboxylate] 1,2,3-tris(3,4,5-trihydroxybenzoate)
  • β-D-Glucopyranose, cyclic 4→7:6→5-(3,6-dihydro-2,9,10,11,11-pentahydroxy-3-oxo-2,6-methano-2H-1-benzoxocin-5,7-dicarboxylate) 1,2,3-tris(3,4,5-trihydroxybenzoate), [4(2S)]-
  • 4,6-Epoxydibenzo[g,i]pyrano[3,2-b][1,5]dioxacycloundecin, β-D-glucopyranose deriv.
  • Isoterchebin
  • Trapain

Deleted or Replaced CAS Registry Numbers

78111-87-2

CAS INSIGHTSTM
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