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(3S,4R,5E)-3-AMINO-3,4-N,O-CARBONYL-1-O-(METHYLSULFONYL)-NONADEC-5-ENE-1,4-DIOL

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(3S,4R,5E)-3-AMINO-3,4-N,O-CARBONYL-1-O-(METHYLSULFONYL)-NONADEC-5-ENE-1,4-DIOL
SpectraBase Compound ID GGrrkitvNei
InChI InChI=1S/C21H39NO5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-19(22-21(23)27-20)17-18-26-28(2,24)25/h15-16,19-20H,3-14,17-18H2,1-2H3,(H,22,23)/b16-15+/t19-,20+/m0/s1
InChIKey BNISWKMHZIZCPM-QUDYQQOWSA-N
Mol Weight 417.6 g/mol
Molecular Formula C21H39NO5S
Exact Mass 417.254895 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6oI4U13d8n1
Name (3S,4R,5E)-3-AMINO-3,4-N,O-CARBONYL-1-O-(METHYLSULFONYL)-NONADEC-5-ENE-1,4-DIOL
Compound Number 27
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H39NO5S
InChI InChI=1S/C21H39NO5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-19(22-21(23)27-20)17-18-26-28(2,24)25/h15-16,19-20H,3-14,17-18H2,1-2H3,(H,22,23)/b16-15+/t19-,20+/m0/s1
InChIKey BNISWKMHZIZCPM-QUDYQQOWSA-N
Literature Reference Author A.TARNOWSKI,O.RETZ,T.BAER,R.R.SCHMIDT
Literature Reference Citation EUR.J.ORG.CHEM.,1129(2005)
Molecular Weight 417.604 g/mol
Sample ID 30843
Solvent CDCl3