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#1A;(2S,8S)-8-(NAPHTHALENE-2-CARBONYLOXYMETHYL)-2-(2-1,4,7,10,13)-PENTAOXA-16-AZACYCLOOCTADEC-16-YL-ACETOXYMETHYL)-3,4,6,7,8,9-HEXAHYDRO-2H-PYRIMIDO-[1,2-A]-PY

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#1A;(2S,8S)-8-(NAPHTHALENE-2-CARBONYLOXYMETHYL)-2-(2-1,4,7,10,13)-PENTAOXA-16-AZACYCLOOCTADEC-16-YL-ACETOXYMETHYL)-3,4,6,7,8,9-HEXAHYDRO-2H-PYRIMIDO-[1,2-A]-PY
SpectraBase Compound ID J2dxZahiP8g
InChI InChI=1S/C34H48N4O9.ClH/c39-32(24-37-11-13-41-15-17-43-19-21-45-22-20-44-18-16-42-14-12-37)46-25-30-7-9-38-10-8-31(36-34(38)35-30)26-47-33(40)29-6-5-27-3-1-2-4-28(27)23-29;/h1-6,23,30-31H,7-22,24-26H2,(H,35,36);1H/t30-,31-;/m0./s1
InChIKey NUMRSDWXOLJEQK-PNXDLZEOSA-N
Mol Weight 693.2 g/mol
Molecular Formula C34H49ClN4O9
Exact Mass 692.318807 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BUYYXbLrlZq
Name #1A;(2S,8S)-8-(NAPHTHALENE-2-CARBONYLOXYMETHYL)-2-(2-1,4,7,10,13)-PENTAOXA-16-AZACYCLOOCTADEC-16-YL-ACETOXYMETHYL)-3,4,6,7,8,9-HEXAHYDRO-2H-PYRIMIDO-[1,2-A]-PY
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H49ClN4O9
InChI InChI=1S/C34H48N4O9.ClH/c39-32(24-37-11-13-41-15-17-43-19-21-45-22-20-44-18-16-42-14-12-37)46-25-30-7-9-38-10-8-31(36-34(38)35-30)26-47-33(40)29-6-5-27-3-1-2-4-28(27)23-29;/h1-6,23,30-31H,7-22,24-26H2,(H,35,36);1H/t30-,31-;/m0./s1
InChIKey NUMRSDWXOLJEQK-PNXDLZEOSA-N
Literature Reference Author P.BRECCIA,M.V.GOOL,R.PEREZ-FERNANDEZ,S.MARTIN-SANTAMARIA,F.G AGO,P.PRADOS,J.D.MEN
Literature Reference Citation J.AM.CHEM.SOC.,125,8270(2003)
Literature Reference DOI 10.1021/ja026860s
Molecular Weight 693.237 g/mol
Sample ID 41726
Solvent CDCl3