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(5'-XI)-3-BETA-ACETOXY-20-(5'-HYDROXYISOPROPARGYL-3'-ISOXAZOLINYL)-5-ALPHA,8-ALPHA-(3'',5''-DIOXO-4''-PHENYL-1'',2'',4''-TRIAZOLIDI
SpectraBase Compound ID 7oazdsq6rgW
InChI InChI=1S/C37H48N4O6/c1-22(27-20-30(47-38-27)33(3,4)45)26-12-13-28-34(26,5)16-15-29-35(6)17-14-25(46-23(2)42)21-36(35)18-19-37(28,29)41-32(44)39(31(43)40(36)41)24-10-8-7-9-11-24/h7-11,18-19,22,25-26,28-30,45H,12-17,20-21H2,1-6H3/t22-,25-,26+,28+,29+,30?,34+,35+,36+,37-/m0/s1
InChIKey FQOVJEPJJMTLPW-FINXTVLFSA-N
Mol Weight 644.8 g/mol
Molecular Formula C37H48N4O6
Exact Mass 644.357385 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9FA1VBI6kCH
Name (5'-XI)-3-BETA-ACETOXY-20-(5'-HYDROXYISOPROPARGYL-3'-ISOXAZOLINYL)-5-ALPHA,8-ALPHA-(3'',5''-DIOXO-4''-PHENYL-1'',2'',4''-TRIAZOLIDI
Compound Number VII_LESS_POLAR_EPIMER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H48N4O6
InChI InChI=1S/C37H48N4O6/c1-22(27-20-30(47-38-27)33(3,4)45)26-12-13-28-34(26,5)16-15-29-35(6)17-14-25(46-23(2)42)21-36(35)18-19-37(28,29)41-32(44)39(31(43)40(36)41)24-10-8-7-9-11-24/h7-11,18-19,22,25-26,28-30,45H,12-17,20-21H2,1-6H3/t22-,25-,26+,28+,29+,30?,34+,35+,36+,37-/m0/s1
InChIKey FQOVJEPJJMTLPW-FINXTVLFSA-N
Literature Reference Author R.P.LITVINOVSKAYA,N.V.KOVAL,V.A.KHRIPACH
Literature Reference Citation CHEM.HET.COMP.,34,241(1998)
Literature Reference DOI 10.1007/bf02315192
Molecular Weight 644.811 g/mol
Solvent CDCl3
Source File Reference UWMZ14481