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AERUGINOSIN_KT_650;MINOR_TRANS_ROTAMER
SpectraBase Compound ID HmhaWmqVJCS
InChI InChI=1S/C34H46N6O7/c1-21(41)47-30(18-23-9-12-25(42)13-10-23)32(45)39-27(17-22-7-3-2-4-8-22)33(46)40-28-20-26(43)14-11-24(28)19-29(40)31(44)37-15-5-6-16-38-34(35)36/h2-4,7-10,12-13,24,26-30,42-43H,5-6,11,14-20H2,1H3,(H,37,44)(H,39,45)(H4,35,36,38)/t24-,26-,27+,28-,29-,30-/m1/s1
InChIKey HUKJPWVQXNHUJQ-XCYBVLSOSA-N
Mol Weight 650.8 g/mol
Molecular Formula C34H46N6O7
Exact Mass 650.342798 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BfZ8oH2ifw4
Name AERUGINOSIN_KT_650;MINOR_TRANS_ROTAMER
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H46N6O7
InChI InChI=1S/C34H46N6O7/c1-21(41)47-30(18-23-9-12-25(42)13-10-23)32(45)39-27(17-22-7-3-2-4-8-22)33(46)40-28-20-26(43)14-11-24(28)19-29(40)31(44)37-15-5-6-16-38-34(35)36/h2-4,7-10,12-13,24,26-30,42-43H,5-6,11,14-20H2,1H3,(H,37,44)(H,39,45)(H4,35,36,38)/t24-,26-,27+,28-,29-,30-/m1/s1
InChIKey HUKJPWVQXNHUJQ-XCYBVLSOSA-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 650.775 g/mol
Sample ID 40033
Solvent DMSO-D6