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AERUGINOSIN-EI461;MAJOR-ROTAMER
SpectraBase Compound ID 49be7OCGwm2
InChI InChI=1S/C24H35N3O6/c1-13(2)9-18(26-23(32)21(30)10-14-3-6-16(28)7-4-14)24(33)27-19-12-17(29)8-5-15(19)11-20(27)22(25)31/h3-4,6-7,13,15,17-21,28-30H,5,8-12H2,1-2H3,(H2,25,31)(H,26,32)/t15-,17-,18+,19-,20-,21+/m1/s1
InChIKey FEBDAAYWFMTVBF-JRAOJMNRSA-N
Mol Weight 461.6 g/mol
Molecular Formula C24H35N3O6
Exact Mass 461.252586 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5ECRnLM8Myj
Name CIS-ROTAMER
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H35N3O6
InChI InChI=1S/C24H35N3O6/c1-13(2)9-18(26-23(32)21(30)10-14-3-6-16(28)7-4-14)24(33)27-19-12-17(29)8-5-15(19)11-20(27)22(25)31/h3-4,6-7,13,15,17-21,28-30H,5,8-12H2,1-2H3,(H2,25,31)(H,26,32)/t15-,17-,18+,19-,20-,21+/m1/s1
InChIKey FEBDAAYWFMTVBF-JRAOJMNRSA-N
Literature Reference Author N.VALLS,M.VALLRIBERA,S.CARMELI,J.BONJOCH
Literature Reference Citation ORG.LETTERS,5,447(2003)
Literature Reference DOI 10.1021/ol0273250
Molecular Weight 461.558 g/mol
Sample ID 49450
Solvent DMSO-D6