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(3E,5E)-8-O-ACETYL-7,9-DI-O-BENZYL-1,3,4,5,6-PENTADEOXY-3-PIPERIDINOMETHYL-D-THREO-NON-3,5-DIENE-2-ULOSE
SpectraBase Compound ID 5YAemxZ8tjg
InChI InChI=1S/C31H39NO5/c1-25(33)29(21-32-19-10-5-11-20-32)17-12-18-30(36-23-28-15-8-4-9-16-28)31(37-26(2)34)24-35-22-27-13-6-3-7-14-27/h3-4,6-9,12-18,30-31H,5,10-11,19-24H2,1-2H3/b18-12+,29-17-/t30-,31+/m1/s1
InChIKey FZASMLZYCNRRKC-OQQGRXSUSA-N
Mol Weight 505.7 g/mol
Molecular Formula C31H39NO5
Exact Mass 505.282823 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DBFPg42qBfg
Name (3E,5E)-8-O-ACETYL-7,9-DI-O-BENZYL-1,3,4,5,6-PENTADEOXY-3-PIPERIDINOMETHYL-D-THREO-NON-3,5-DIENE-2-ULOSE
Compound Number 16A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H39NO5
InChI InChI=1S/C31H39NO5/c1-25(33)29(21-32-19-10-5-11-20-32)17-12-18-30(36-23-28-15-8-4-9-16-28)31(37-26(2)34)24-35-22-27-13-6-3-7-14-27/h3-4,6-9,12-18,30-31H,5,10-11,19-24H2,1-2H3/b18-12+,29-17-/t30-,31+/m1/s1
InChIKey FZASMLZYCNRRKC-OQQGRXSUSA-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 505.654 g/mol
Solvent CDCl3
Source File Reference UWSI24298