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(3E,5E)-8-O-ACETYL-7,9-DI-O-BENZYL-1,3,4,5,6-PENTADEOXY-3-(N-METHYL)-PIPERAZINOMETHYL-D-THREO-NON-3,5-DIENE-2-ULOSE
SpectraBase Compound ID 7ttrwVwfoiR
InChI InChI=1S/C31H40N2O5/c1-25(34)29(21-33-19-17-32(3)18-20-33)15-10-16-30(37-23-28-13-8-5-9-14-28)31(38-26(2)35)24-36-22-27-11-6-4-7-12-27/h4-16,30-31H,17-24H2,1-3H3/b16-10+,29-15-/t30-,31+/m1/s1
InChIKey KMOSFGCRJNZCHD-CRTZWFHSSA-N
Mol Weight 520.7 g/mol
Molecular Formula C31H40N2O5
Exact Mass 520.293722 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bos4KgsxLH6
Name (3E,5E)-8-O-ACETYL-7,9-DI-O-BENZYL-1,3,4,5,6-PENTADEOXY-3-(N-METHYL)-PIPERAZINOMETHYL-D-THREO-NON-3,5-DIENE-2-ULOSE
Compound Number 16D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H40N2O5
InChI InChI=1S/C31H40N2O5/c1-25(34)29(21-33-19-17-32(3)18-20-33)15-10-16-30(37-23-28-13-8-5-9-14-28)31(38-26(2)35)24-36-22-27-11-6-4-7-12-27/h4-16,30-31H,17-24H2,1-3H3/b16-10+,29-15-/t30-,31+/m1/s1
InChIKey KMOSFGCRJNZCHD-CRTZWFHSSA-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 520.669 g/mol
Solvent CDCl3
Source File Reference UWSI24301