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(2R,3S,4R)-3,3',4',5,7-PENTAACETOXY-4-BENZYLTHIOFLAVAN

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(2R,3S,4R)-3,3',4',5,7-PENTAACETOXY-4-BENZYLTHIOFLAVAN
SpectraBase Compound ID LeDsjXAe6mD
InChI InChI=1S/C32H30O11S/c1-17(33)38-23-14-28(41-20(4)36)30-25(16-44-24-9-7-6-8-10-24)32(42-21(5)37)31(43-29(30)15-23)22-11-12-26(39-18(2)34)27(13-22)40-19(3)35/h6-15,25,31-32H,16H2,1-5H3/t25-,31-,32+/m1/s1
InChIKey NMFWHLPYZQEPOX-QHZFHHJPSA-N
Mol Weight 622.6 g/mol
Molecular Formula C32H30O11S
Exact Mass 622.150883 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1k33X3WLNE9
Name (2R,3S,4R)-3,3',4',5,7-PENTAACETOXY-4-BENZYLTHIOFLAVAN
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H30O11S
InChI InChI=1S/C32H30O11S/c1-17(33)38-23-14-28(41-20(4)36)30-25(16-44-24-9-7-6-8-10-24)32(42-21(5)37)31(43-29(30)15-23)22-11-12-26(39-18(2)34)27(13-22)40-19(3)35/h6-15,25,31-32H,16H2,1-5H3/t25-,31-,32+/m1/s1
InChIKey NMFWHLPYZQEPOX-QHZFHHJPSA-N
Literature Reference Author H.KOLODZIEJ
Literature Reference Citation PHYTOCHEM.,29,1671(1990)
Literature Reference DOI 10.1016/0031-9422(90)80143-5
Molecular Weight 622.644 g/mol
Solvent CDCl3
Source File Reference UWLU32111