α-D-Glucopyranose, cyclic 4,6-[(2S,2′S)-2,2′-(5,10-dihydro-2,3,7,8-tetrahydroxy-5,10-dioxo[1]benzopyrano[5,4,3-cde][1]benzopyran-1,6-diyl)bis[3,4,5-trihydroxybenzoate]] cyclic 2,3-[(1S)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate] 1-(3,4,5-trihydroxybenzoate)

CAS Registry Number®

108906-54-3
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CAS Name

α-D-Glucopyranose, cyclic 4,6-[(2S,2′S)-2,2′-(5,10-dihydro-2,3,7,8-tetrahydroxy-5,10-dioxo[1]benzopyrano[5,4,3-cde][1]benzopyran-1,6-diyl)bis[3,4,5-trihydroxybenzoate]] cyclic 2,3-[(1S)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate] 1-(3,4,5-trihydroxybenzoate)

Molecular Formula

C55H32O34

Molecular Mass

1236.82

Cite this Page

α-D-Glucopyranose, cyclic 4,6-[(2S,2′S)-2,2′-(5,10-dihydro-2,3,7,8-tetrahydroxy-5,10-dioxo[1]benzopyrano[5,4,3-cde][1]benzopyran-1,6-diyl)bis[3,4,5-trihydroxybenzoate]] cyclic 2,3-[(1S)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate] 1-(3,4,5-trihydroxybenzoate).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=108906-54-3 (retrieved 2024-04-27) (CAS RN: 108906-54-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C55H32O34/c56-13-1-8(2-14(57)30(13)62)48(75)89-55-47-46(87-51(78)10-4-16(59)31(63)35(67)20(10)21-11(52(79)88-47)5-17(60)32(64)36(21)68)43-19(83-55)7-82-49(76)9-3-15(58)33(65)37(69)22(9)24-28-26-27-29(54(81)86-44(26)41(73)39(24)71)25(40(72)42(74)45(27)85-53(28)80)23-12(50(77)84-43)6-18(61)34(66)38(23)70/h1-6,19,43,46-47,55-74H,7H2

InChIKey

InChIKey=PMOWTIMRSISLEU-UHFFFAOYSA-N

SMILES

O=C1C=2C=3C=4C5=C(C=6C(C(=O)OCC7C(OC(=O)C=8C(C2C(O)=C(O)C3OC5=O)=C(O)C(O)=C(O)C8)C9C(C(OC(=O)C%10=CC(O)=C(O)C(O)=C%10)O7)OC(=O)C=%11C(C=%12C(C(=O)O9)=CC(O)=C(O)C%12O)=C(O)C(O)=C(O)C%11)=CC(O)=C(O)C6O)C(O)=C(O)C4O1

Canonical SMILES

O=C1OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C4OC(=O)C5=CC(O)=C(O)C(O)=C5C6=C(O)C(O)=C(O)C=C6C(=O)OC4C2OC(=O)C7=CC(O)=C(O)C(O)=C7C8=C(O)C(O)=C9OC(=O)C=%10C(=C(O)C(O)=C%11OC(=O)C8=C9C%11%10)C%12=C(O)C(O)=C(O)C=C1%12

Other Names for this Substance

  • α-D-Glucopyranose, cyclic 4,6-[(2S,2′S)-2,2′-(5,10-dihydro-2,3,7,8-tetrahydroxy-5,10-dioxo[1]benzopyrano[5,4,3-cde][1]benzopyran-1,6-diyl)bis[3,4,5-trihydroxybenzoate]] cyclic 2,3-[(1S)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate] 1-(3,4,5-trihydroxybenzoate)
  • [1]Benzopyrano[5,4,3-cde][1]benzopyran, α-D-glucopyranose deriv.
  • 24,17,20,23-(Epoxy[2]propene[1,2]diyl[3]ylidene)-12H-tribenzo[g,i,q]dibenzo[6′,7′:8′,9′][1,4]dioxecino[2′,3′:4,5]pyrano[3,2-b][1,5,12]trioxacyclononadecin, α-D-glucopyranose deriv.
  • Teroblongin
  • Combreglutinin

View All

Deleted or Replaced CAS Registry Numbers

1158991-22-0

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