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ETHYL-4-[(N-BENZOYL-5-METHYLTHIOCARBAMOYL)-AMINO]-3-(2,3-O-ISOPROPYLIDENE-5-O-TRITYL-D-RIBOFURANOSYL)-ISOTHIAZOLE-5-CARBOXYLATE

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ETHYL-4-[(N-BENZOYL-5-METHYLTHIOCARBAMOYL)-AMINO]-3-(2,3-O-ISOPROPYLIDENE-5-O-TRITYL-D-RIBOFURANOSYL)-ISOTHIAZOLE-5-CARBOXYLATE
SpectraBase Compound ID 95n2kcDVHSt
InChI InChI=1S/C42H41N3O7S2/c1-5-48-39(47)37-33(43-40(53-4)44-38(46)27-18-10-6-11-19-27)32(45-54-37)35-36-34(51-41(2,3)52-36)31(50-35)26-49-42(28-20-12-7-13-21-28,29-22-14-8-15-23-29)30-24-16-9-17-25-30/h6-25,31,34-36H,5,26H2,1-4H3,(H,43,44,46)/t31-,34-,35-,36-/m1/s1
InChIKey YQSCCNYITSXKPQ-MBWVZDRISA-N
Mol Weight 763.9 g/mol
Molecular Formula C42H41N3O7S2
Exact Mass 763.238593 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CnQwxSwcZhz
Name ETHYL-4-[(N-BENZOYL-5-METHYLTHIOCARBAMOYL)-AMINO]-3-(2,3-O-ISOPROPYLIDENE-5-O-TRITYL-D-RIBOFURANOSYL)-ISOTHIAZOLE-5-CARBOXYLATE
Compound Number 6-ALPHA
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H41N3O7S2
InChI InChI=1S/C42H41N3O7S2/c1-5-48-39(47)37-33(43-40(53-4)44-38(46)27-18-10-6-11-19-27)32(45-54-37)35-36-34(51-41(2,3)52-36)31(50-35)26-49-42(28-20-12-7-13-21-28,29-22-14-8-15-23-29)30-24-16-9-17-25-30/h6-25,31,34-36H,5,26H2,1-4H3,(H,43,44,46)/t31-,34-,35-,36-/m1/s1
InChIKey YQSCCNYITSXKPQ-MBWVZDRISA-N
Literature Reference Author H.WAMHOFF,R.BERRESSEM,M.NIEGER
Literature Reference Citation J.ORG.CHEM.,59,1912(1994)
Literature Reference DOI 10.1021/jo00086a054
Molecular Weight 763.923 g/mol
Solvent CDCl3
Source File Reference UWCP5146