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8-O-BETA-D-GLUCOPYRANOSYL-1,1',8'-TRIHYDROXY-3,3'-DIMETHYL-2,7'-BIANTHRAQUINONE
SpectraBase Compound ID 5N8oeSx5Yvy
InChI InChI=1S/C36H28O13/c1-12-8-17-23(19(38)9-12)32(44)25-16(28(17)40)7-6-15(29(25)41)22-13(2)10-18-26(31(22)43)33(45)24-14(27(18)39)4-3-5-20(24)48-36-35(47)34(46)30(42)21(11-37)49-36/h3-10,21,30,34-38,41-43,46-47H,11H2,1-2H3/t21-,30-,34+,35-,36-/m0/s1
InChIKey ZKPXKWBARAEXLT-YJQFXCFESA-N
Mol Weight 668.6 g/mol
Molecular Formula C36H28O13
Exact Mass 668.152991 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5xJE1kKOX7N
Name 8-O-BETA-D-GLUCOPYRANOSYL-1,1',8'-TRIHYDROXY-3,3'-DIMETHYL-2,7'-BIANTHRAQUINONE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H28O13
InChI InChI=1S/C36H28O13/c1-12-8-17-23(19(38)9-12)32(44)25-16(28(17)40)7-6-15(29(25)41)22-13(2)10-18-26(31(22)43)33(45)24-14(27(18)39)4-3-5-20(24)48-36-35(47)34(46)30(42)21(11-37)49-36/h3-10,21,30,34-38,41-43,46-47H,11H2,1-2H3/t21-,30-,34+,35-,36-/m0/s1
InChIKey ZKPXKWBARAEXLT-YJQFXCFESA-N
Literature Reference Author C.LI,J.G.SHI,Y.P.ZHANG,C.Z.ZHANG
Literature Reference Citation J.NAT.PROD.,63,653(2000)
Literature Reference DOI 10.1021/np9904915
Molecular Weight 668.611 g/mol
Solvent DMSO-D6
Source File Reference UWCP8964