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 β-D-glucopyranose cyclic 4,6-[(1S)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate] 1,3-bis(3,4,5-trihydroxybenzoate)

CAS Registry Number®

159935-08-7

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 β-D-glucopyranose cyclic 4,6-[(1S)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate] 1,3-bis(3,4,5-trihydroxybenzoate)

Molecular Formula

C75H52O48

Molecular Mass

1721.19

Cite 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 β-D-glucopyranose cyclic 4,6-[(1S)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate] 1,3-bis(3,4,5-trihydroxybenzoate).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=159935-08-7 (retrieved 2024-11-25) (CAS RN: 159935-08-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C75H52O48/c76-12-36-62(119-72(110)21-9-32(85)49(93)56(100)41(21)39-18(70(108)116-36)6-29(82)47(91)54(39)98)61-34(87)13-113-69(107)22-11-35(52(96)58(102)43(22)42-19(71(109)118-61)7-30(83)50(94)57(42)101)115-60-23(10-33(86)51(95)59(60)103)74(112)122-65-64(121-66(104)15-1-24(77)44(88)25(78)2-15)63-37(117-75(65)123-67(105)16-3-26(79)45(89)27(80)4-16)14-114-68(106)17-5-28(81)46(90)53(97)38(17)40-20(73(111)120-63)8-31(84)48(92)55(40)99/h1-12,34,36-37,61-65,75,77-103H,13-14H2

InChIKey

InChIKey=UQZOEGGMYQJSEI-UHFFFAOYSA-N

SMILES

O(C(=O)C1=CC(O)=C(O)C(O)=C1)C2C3C(OC(OC(=O)C4=CC(O)=C(O)C(O)=C4)C2OC(=O)C5=C(OC=6C=C7C(=C(O)C6O)C=8C(C(=O)OC(C(O)COC7=O)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)C8O)C(O)=C(O)C(O)=C5)COC(=O)C=%12C(C=%13C(C(=O)O3)=CC(O)=C(O)C%13O)=C(O)C(O)=C(O)C%12

Canonical SMILES

O=CC1OC(=O)C2=CC(O)=C(O)C(O)=C2C3=C(O)C(O)=C(O)C=C3C(=O)OC1C4OC(=O)C5=CC(O)=C(O)C(O)=C5C6=C(O)C(O)=C(OC7=C(O)C(O)=C(O)C=C7C(=O)OC8C(OC(=O)C9=CC(O)=C(O)C(O)=C9)OC%10COC(=O)C%11=CC(O)=C(O)C(O)=C%11C%12=C(O)C(O)=C(O)C=C%12C(=O)OC%10C8OC(=O)C%13=CC(O)=C(O)C(O)=C%13)C=C6C(=O)OCC4O

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 β-D-glucopyranose cyclic 4,6-[(1S)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate] 1,3-bis(3,4,5-trihydroxybenzoate)
  • D-Glucose, cyclic 4→2′:6→2-[4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4′,5,5′,6,6′-pentahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate] cyclic 2,3-(4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate), 2-ester with β-D-glucopyranose cyclic 4,6-(4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate) 1,3-bis(3,4,5-trihydroxybenzoate), [2(S),4[S(S)]]-
  • Camellioferin A

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