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22,23-DIHYDROXY-IRIDAL-3,16-DI-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID I7j8nQwHKkE
InChI InChI=1S/C42H72O16/c1-23(13-15-31(46)40(4,5)53)12-14-28(56-39-37(52)35(50)33(48)30(22-45)58-39)24(2)10-8-17-41(6)27(26(25(3)20-43)16-18-42(41,7)54)11-9-19-55-38-36(51)34(49)32(47)29(21-44)57-38/h10,12,20,27-39,44-54H,8-9,11,13-19,21-22H2,1-7H3/b23-12+,24-10+,26-25-/t27-,28?,29+,30+,31?,32+,33+,34-,35-,36+,37+,38+,39+,41?,42+/m1/s1
InChIKey NYKQVYVPSFZYIO-CVJWQZPLSA-N
Mol Weight 833.0 g/mol
Molecular Formula C42H72O16
Exact Mass 832.482036 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7QPjFjrx5H3
Name 22,23-DIHYDROXY-IRIDAL-3,16-DI-BETA-D-GLUCOPYRANOSIDE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H72O16
InChI InChI=1S/C42H72O16/c1-23(13-15-31(46)40(4,5)53)12-14-28(56-39-37(52)35(50)33(48)30(22-45)58-39)24(2)10-8-17-41(6)27(26(25(3)20-43)16-18-42(41,7)54)11-9-19-55-38-36(51)34(49)32(47)29(21-44)57-38/h10,12,20,27-39,44-54H,8-9,11,13-19,21-22H2,1-7H3/b23-12+,24-10+,26-25-/t27-,28?,29+,30+,31?,32+,33+,34-,35-,36+,37+,38+,39+,41?,42+/m1/s1
InChIKey NYKQVYVPSFZYIO-CVJWQZPLSA-N
Literature Reference Author F.J.MARNER,A.N.B.SINGAB,M.M.AL-AZIZI,N.A.EL-EMARY,M.SCHAEFER
Literature Reference Citation PHYTOCHEM.,60,301(2002)
Literature Reference DOI 10.1016/S0031-9422(02)00110-3
Molecular Weight 833.024 g/mol
Solvent CD3OD
Source File Reference UWMS1620