D-Glucitol, 1-C-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-6-yl]-, cyclic 2,3:4,6-bis[(1S)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate], (1S)-

CAS Registry Number®

154524-52-4

CAS Name

D-Glucitol, 1-C-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-6-yl]-, cyclic 2,3:4,6-bis[(1S)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate], (1S)-

Molecular Formula

C49H38O28

Molecular Mass

1074.81

Cite this Page

D-Glucitol, 1-C-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-6-yl]-, cyclic 2,3:4,6-bis[(1S)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate], (1S)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=154524-52-4 (retrieved 2024-11-05) (CAS RN: 154524-52-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C49H38O28/c50-17-2-1-11(3-18(17)51)42-24(57)4-12-26(74-42)9-19(52)31(32(12)59)41(68)44-45(77-49(72)16-8-23(56)36(63)40(67)30(16)29-15(48(71)76-44)7-22(55)35(62)39(29)66)43-25(58)10-73-46(69)13-5-20(53)33(60)37(64)27(13)28-14(47(70)75-43)6-21(54)34(61)38(28)65/h1-3,5-9,24-25,41-45,50-68H,4,10H2

InChIKey

InChIKey=CAHWVGJOCMGFBC-UHFFFAOYSA-N

SMILES

OC1=C2C=3C(C(=O)OC(C(C(O)C=4C(O)=C5C(=CC4O)OC(C(O)C5)C6=CC(O)=C(O)C=C6)OC(=O)C2=CC(O)=C1O)C7OC(=O)C=8C(C=9C(C(=O)OCC7O)=CC(O)=C(O)C9O)=C(O)C(O)=C(O)C8)=CC(O)=C(O)C3O

Canonical SMILES

O=C1OCC(O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2C3=C(O)C(O)=C(O)C=C13)C4OC(=O)C5=CC(O)=C(O)C(O)=C5C6=C(O)C(O)=C(O)C=C6C(=O)OC4C(O)C7=C(O)C=C8OC(C9=CC=C(O)C(O)=C9)C(O)CC8=C7O

Other Names for this Substance

  • D-Glucitol, 1-C-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-6-yl]-, cyclic 2,3:4,6-bis[(1S)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate], (1S)-
  • D-Glucitol, 1-C-[2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-6-yl]-, cyclic 2,3:4,6-bis(4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate), [1S(2R,3R),2(S),4(S)]-
  • 7H-Dibenzo[g,i][1,5]dioxacycloundecin, D-glucitol deriv.
  • Dibenzo[f,h][1,4]dioxecin, D-glucitol deriv.
  • Camelliatannin C

CAS INSIGHTSTM
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