D-Glucose, cyclic 4→2′:6→2-[(1S)-4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4′,5,5′,6,6′-pentahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate] cyclic 2,3-[(1S)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate], 2-ester with D-glucose cyclic 4,6-[(1S)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate] 3-(3,4,5-trihydroxybenzoate)
CAS Registry Number®
CAS Name
D-Glucose, cyclic 4→2′:6→2-[(1S)-4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4′,5,5′,6,6′-pentahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate] cyclic 2,3-[(1S)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate], 2-ester with D-glucose cyclic 4,6-[(1S)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate] 3-(3,4,5-trihydroxybenzoate)Molecular Formula
C68H48O44Molecular Mass
1569.08Cite this Page
D-Glucose, cyclic 4→2′:6→2-[(1S)-4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4′,5,5′,6,6′-pentahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate] cyclic 2,3-[(1S)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate], 2-ester with D-glucose cyclic 4,6-[(1S)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate] 3-(3,4,5-trihydroxybenzoate). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=132731-66-9 (retrieved ) (CAS RN: 132731-66-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C68H48O44/c69-10-33(59(111-61(96)14-1-22(71)41(81)23(72)2-14)57-30(79)12-104-62(97)15-3-24(73)42(82)49(89)35(15)37-17(65(100)109-57)5-26(75)44(84)51(37)91)108-68(103)21-8-29(78)47(87)55(95)56(21)106-32-9-20-40(54(94)48(32)88)39-18(6-27(76)46(86)53(39)93)66(101)110-58(31(80)13-105-63(20)98)60-34(11-70)107-64(99)16-4-25(74)43(83)50(90)36(16)38-19(67(102)112-60)7-28(77)45(85)52(38)92/h1-11,30-31,33-34,57-60,71-95H,12-13H2
InChIKey
InChIKey=BXEUDKDPCURNMD-UHFFFAOYSA-N
SMILES
OC1=C2C=3C(C(=O)OC(C(O)COC(=O)C2=CC(OC4=C(C(OC(C(OC(=O)C5=CC(O)=C(O)C(O)=C5)C6OC(=O)C=7C(C=8C(C(=O)OCC6O)=CC(O)=C(O)C8O)=C(O)C(O)=C(O)C7)C=O)=O)C=C(O)C(O)=C4O)=C1O)C9C(C=O)OC(=O)C=%10C(C=%11C(C(=O)O9)=CC(O)=C(O)C%11O)=C(O)C(O)=C(O)C%10)=CC(O)=C(O)C3O
Canonical SMILES
O=CC(OC(=O)C1=CC(O)=C(O)C(O)=C1OC=2C=C3C(=O)OCC(O)C(OC(=O)C4=CC(O)=C(O)C(O)=C4C3=C(O)C2O)C5OC(=O)C6=CC(O)=C(O)C(O)=C6C7=C(O)C(O)=C(O)C=C7C(=O)OC5C=O)C(OC(=O)C8=CC(O)=C(O)C(O)=C8)C9OC(=O)C%10=CC(O)=C(O)C(O)=C%10C%11=C(O)C(O)=C(O)C=C%11C(=O)OCC9O
Other Names for this Substance
- D-Glucose, cyclic 4→2′:6→2-[(1S)-4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4′,5,5′,6,6′-pentahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate] cyclic 2,3-[(1S)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate], 2-ester with D-glucose cyclic 4,6-[(1S)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate] 3-(3,4,5-trihydroxybenzoate)
- 7H-Dibenzo[g,i][1,5]dioxocycloundecin, D-glucose deriv.
- Dibenzo[f,h][1,4]dioxecin, D-glucose deriv.
- Camelliin A