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(3E,5E)-8-O-ACETYL-7,9-DI-O-BENZYL-1,3,4,5,6-PENTADEOXY-3-(N-BENZYL)-PIPERAZINOMETHYL-D-THREO-NON-3,5-DIENE-2-ULOSE
SpectraBase Compound ID KH2uwn83BJ5
InChI InChI=1S/C37H44N2O5/c1-30(40)35(26-39-23-21-38(22-24-39)25-32-13-6-3-7-14-32)19-12-20-36(43-28-34-17-10-5-11-18-34)37(44-31(2)41)29-42-27-33-15-8-4-9-16-33/h3-20,36-37H,21-29H2,1-2H3/b20-12+,35-19-/t36-,37+/m1/s1
InChIKey IICURDPAGBGKRS-FBJRDQAYSA-N
Mol Weight 596.8 g/mol
Molecular Formula C37H44N2O5
Exact Mass 596.325023 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EunmEpWByOj
Name (3E,5E)-8-O-ACETYL-7,9-DI-O-BENZYL-1,3,4,5,6-PENTADEOXY-3-(N-BENZYL)-PIPERAZINOMETHYL-D-THREO-NON-3,5-DIENE-2-ULOSE
Compound Number 16E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H44N2O5
InChI InChI=1S/C37H44N2O5/c1-30(40)35(26-39-23-21-38(22-24-39)25-32-13-6-3-7-14-32)19-12-20-36(43-28-34-17-10-5-11-18-34)37(44-31(2)41)29-42-27-33-15-8-4-9-16-33/h3-20,36-37H,21-29H2,1-2H3/b20-12+,35-19-/t36-,37+/m1/s1
InChIKey IICURDPAGBGKRS-FBJRDQAYSA-N
Literature Reference Author R.PATHAK,C.S.PANT,A.K.SHAW,A.P.BHADURI,A.N.GAIKWAD,S.SINHA,A .SRIVASTAVA,K.K.SRIV
Literature Reference Citation BIOORG.MED.CHEM.,10,3187(2002)
Literature Reference DOI 10.1016/S0968-0896(02)00210-9
Molecular Weight 596.767 g/mol
Solvent CDCl3
Source File Reference UWSI24302