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7-O-(4-O-ACETYL-2,3,6-TRIDEOXY-6,6,6-TRIFLUORO-3-TRIFLUOROACETAMIDO-ALPHA-L-LYXO-HEXOPYRANOSYL)DAUNOMYCINONE

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7-O-(4-O-ACETYL-2,3,6-TRIDEOXY-6,6,6-TRIFLUORO-3-TRIFLUOROACETAMIDO-ALPHA-L-LYXO-HEXOPYRANOSYL)DAUNOMYCINONE
SpectraBase Compound ID H3RpJGItHuK
InChI InChI=1S/C31H27F6NO12/c1-10(39)29(46)8-13-19(25(44)21-20(23(13)42)22(41)12-5-4-6-15(47-3)18(12)24(21)43)16(9-29)49-17-7-14(38-28(45)31(35,36)37)26(48-11(2)40)27(50-17)30(32,33)34/h4-6,14,16-17,26-27,42,44,46H,7-9H2,1-3H3,(H,38,45)/t14-,16-,17+,26-,27+,29-/m1/s1
InChIKey QFLOAQNYRVYCDO-PUZQFBMXSA-N
Mol Weight 719.54 g/mol
Molecular Formula C31H27F6NO12
Exact Mass 719.143744 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 36x764IFf2v
Name 7-O-(4-O-ACETYL-2,3,6-TRIDEOXY-6,6,6-TRIFLUORO-3-TRIFLUOROACETAMIDO-ALPHA-L-LYXO-HEXOPYRANOSYL)DAUNOMYCINONE
Compound Number 22
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H27F6NO12
InChI InChI=1S/C31H27F6NO12/c1-10(39)29(46)8-13-19(25(44)21-20(23(13)42)22(41)12-5-4-6-15(47-3)18(12)24(21)43)16(9-29)49-17-7-14(38-28(45)31(35,36)37)26(48-11(2)40)27(50-17)30(32,33)34/h4-6,14,16-17,26-27,42,44,46H,7-9H2,1-3H3,(H,38,45)/t14-,16-,17+,26-,27+,29-/m1/s1
InChIKey QFLOAQNYRVYCDO-PUZQFBMXSA-N
Literature Reference Author K.NAKAI,Y.TAKAGI,S.OGAWA,T.TSUCHIYA
Literature Reference Citation CARBOHYDR.RES.,320,8(1999)
Literature Reference DOI 10.1016/S0008-6215(99)00126-3
Solvent CDCl3
Source File Reference UWBS970