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1-[(5S)-4-OXO-2,2-BIS-(TRIFLUOROMETHYL)-1,3-DIOXOLAN-5-YLMETHYL]-3-(3,4,6-TRI-O-ACETYL-2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSYL)-UREA
SpectraBase Compound ID 7c7xQfvkvhz
InChI InChI=1S/C21H25F6N3O12/c1-7(31)29-13-15(39-10(4)34)14(38-9(3)33)12(6-37-8(2)32)40-16(13)30-18(36)28-5-11-17(35)42-19(41-11,20(22,23)24)21(25,26)27/h11-16H,5-6H2,1-4H3,(H,29,31)(H2,28,30,36)/t11-,12-,13-,14-,15-,16-/m1/s1
InChIKey HZYSABGVQZTLAE-VUVWGQCBSA-N
Mol Weight 625.43 g/mol
Molecular Formula C21H25F6N3O12
Exact Mass 625.134242 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 24C9emAZWAN
Name 1-[(5S)-4-OXO-2,2-BIS-(TRIFLUOROMETHYL)-1,3-DIOXOLAN-5-YLMETHYL]-3-(3,4,6-TRI-O-ACETYL-2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSYL)-UREA
Compound Number 6C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H25F6N3O12
InChI InChI=1S/C21H25F6N3O12/c1-7(31)29-13-15(39-10(4)34)14(38-9(3)33)12(6-37-8(2)32)40-16(13)30-18(36)28-5-11-17(35)42-19(41-11,20(22,23)24)21(25,26)27/h11-16H,5-6H2,1-4H3,(H,29,31)(H2,28,30,36)/t11-,12-,13-,14-,15-,16-/m1/s1
InChIKey HZYSABGVQZTLAE-VUVWGQCBSA-N
Literature Reference Author C.BOETTCHER,J.SPENGLER,L.HENNIG,F.ALBERICIO,K.BURGER
Literature Reference Citation MH.CHEM.,136,577(2005)
Literature Reference DOI 10.1007/s00706-004-0248-9
Molecular Weight 625.433 g/mol
Solvent DMSO-D6
Source File Reference UWSI23589