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AERUGINOSIN_KT_608A;MAJOR_CIS_ROTAMER
SpectraBase Compound ID EHXczsIowmA
InChI InChI=1S/C32H44N6O6/c33-32(34)36-15-5-4-14-35-29(42)27-18-22-10-13-24(40)19-26(22)38(27)31(44)25(16-20-6-2-1-3-7-20)37-30(43)28(41)17-21-8-11-23(39)12-9-21/h1-3,6-9,11-12,22,24-28,39-41H,4-5,10,13-19H2,(H,35,42)(H,37,43)(H4,33,34,36)/t22-,24-,25-,26-,27-,28+/m1/s1
InChIKey HYPWKJJQJSEUDS-XGISLDBZSA-N
Mol Weight 608.7 g/mol
Molecular Formula C32H44N6O6
Exact Mass 608.332233 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3RgU7uR66H8
Name AERUGINOSIN_KT_608A;MAJOR_CIS_ROTAMER
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H44N6O6
InChI InChI=1S/C32H44N6O6/c33-32(34)36-15-5-4-14-35-29(42)27-18-22-10-13-24(40)19-26(22)38(27)31(44)25(16-20-6-2-1-3-7-20)37-30(43)28(41)17-21-8-11-23(39)12-9-21/h1-3,6-9,11-12,22,24-28,39-41H,4-5,10,13-19H2,(H,35,42)(H,37,43)(H4,33,34,36)/t22-,24-,25-,26-,27-,28+/m1/s1
InChIKey HYPWKJJQJSEUDS-XGISLDBZSA-N
Literature Reference Author M.LIFSHITS,S.CARMELI
Literature Reference Citation J.NAT.PROD.,75,209(2012)
Literature Reference DOI 10.1021/np200909x
Molecular Weight 608.738 g/mol
Sample ID 40028
Solvent DMSO-D6