β-D-Glucopyranose, cyclic 3,6-(4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate) 1-(3,4,5-trihydroxybenzoate)
CAS Registry Number®
2088321-44-0
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CAS Name
β-D-Glucopyranose, cyclic 3,6-(4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate) 1-(3,4,5-trihydroxybenzoate)Molecular Formula
C27H22O18Molecular Mass
634.45Cite this Page
β-D-Glucopyranose, cyclic 3,6-(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/detail?cas_rn=2088321-44-0 (retrieved ) (CAS RN: 2088321-44-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(39)45-27-22(38)23-19(35)13(43-27)5-42-25(40)7-3-11(30)17(33)20(36)14(7)15-8(26(41)44-23)4-12(31)18(34)21(15)37/h1-4,13,19,22-23,27-38H,5H2/t13-,19?,22-,23+,27+/m1/s1
InChIKey
InChIKey=TUSDEZXZIZRFGC-UXRJWYGLSA-N
SMILES
OC1=C2C=3C(=CC(O)=C(O)C3O)C(=O)OC[C@@]4(C(O)[C@](OC(=O)C2=CC(O)=C1O)([C@@H](O)[C@H](OC(=O)C5=CC(O)=C(O)C(O)=C5)O4)[H])[H]
Canonical SMILES
O=C1OCC2OC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(OC(=O)C4=CC(O)=C(O)C(O)=C4C=5C(O)=C(O)C(O)=CC15)C2O
Other Names for this Substance
- β-D-Glucopyranose, cyclic 3,6-(4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate) 1-(3,4,5-trihydroxybenzoate)
- NP-004255
