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AERUGINOSIN_DA495B;D-ORTHO-CL-HPLA-D-LEU-L-CHOI-AMIDE;MAJOR_ROTAMER;TRANS
SpectraBase Compound ID FgYGC6GDBNx
InChI InChI=1S/C24H34ClN3O6/c1-12(2)7-17(27-23(33)21(31)9-13-3-6-20(30)16(25)8-13)24(34)28-18-11-15(29)5-4-14(18)10-19(28)22(26)32/h3,6,8,12,14-15,17-19,21,29-31H,4-5,7,9-11H2,1-2H3,(H2,26,32)(H,27,33)/t14-,15+,17+,18-,19-,21+/m0/s1
InChIKey JEQFQALMOOSYPM-ICVGXQTJSA-N
Mol Weight 496.0 g/mol
Molecular Formula C24H34ClN3O6
Exact Mass 495.213614 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9G6vsVN6YPY
Name AERUGINOSIN_DA495B;D-ORTHO-CL-HPLA-D-LEU-L-CHOI-AMIDE;MINOR_ROTAMER
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H34ClN3O6
InChI InChI=1S/C24H34ClN3O6/c1-12(2)7-17(27-23(33)21(31)9-13-3-6-20(30)16(25)8-13)24(34)28-18-11-15(29)5-4-14(18)10-19(28)22(26)32/h3,6,8,12,14-15,17-19,21,29-31H,4-5,7,9-11H2,1-2H3,(H2,26,32)(H,27,33)/t14-,15+,17+,18-,19-,21+/m0/s1
InChIKey JEQFQALMOOSYPM-ICVGXQTJSA-N
Literature Reference Author S.ADIV,S.CARMELI
Literature Reference Citation J.NAT.PROD.,76,2307(2013)
Literature Reference DOI 10.1021/np4006844
Molecular Weight 496.003 g/mol
Solvent DMSO-D6
Source File Reference UWMZ43598