D-Glucitol, 1-C-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-8-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®

148132-92-7

CAS Name

D-Glucitol, 1-C-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-8-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-8-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=148132-92-7 (retrieved 2024-11-25) (CAS RN: 148132-92-7).  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(3-19(17)52)41-25(58)4-12-18(51)9-20(53)31(42(12)74-41)40(68)44-45(77-49(72)16-8-24(57)35(63)39(67)30(16)29-15(48(71)76-44)7-23(56)34(62)38(29)66)43-26(59)10-73-46(69)13-5-21(54)32(60)36(64)27(13)28-14(47(70)75-43)6-22(55)33(61)37(28)65/h1-3,5-9,25-26,40-41,43-45,50-68H,4,10H2

InChIKey

InChIKey=XSWKCRGTEVOEIG-UHFFFAOYSA-N

SMILES

C(O)(C1=C2C(CC(O)C(O2)C3=CC(O)=C(O)C=C3)=C(O)C=C1O)C4C(OC(=O)C=5C(C=6C(C(=O)O4)=CC(O)=C(O)C6O)=C(O)C(O)=C(O)C5)C7OC(=O)C=8C(C=9C(C(=O)OCC7O)=CC(O)=C(O)C9O)=C(O)C(O)=C(O)C8

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)C=7C(O)=CC(O)=C8C7OC(C9=CC=C(O)C(O)=C9)C(O)C8

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-8-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-8-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)]-
  • Dibenzo[f,h][1,4]dioxecin, D-glucitol deriv.
  • 7H-Dibenzo[g,i][1,5]dioxacycloundecin, D-glucitol deriv.
  • Camelliatannin E

CAS INSIGHTSTM
Hourglass and a clock