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JM47;CYCLO-[L-ALANYL-D-ALANYL-[(2S,9S)-2-AMINO-9-HYDROXY-8-OXODECANOYL]-D-PROLYL]
SpectraBase Compound ID KukfL21oI7g
InChI InChI=1S/C21H34N4O6/c1-12-18(28)22-13(2)19(29)24-15(8-5-4-6-10-17(27)14(3)26)21(31)25-11-7-9-16(25)20(30)23-12/h12-16,26H,4-11H2,1-3H3,(H,22,28)(H,23,30)(H,24,29)/t12-,13+,14+,15-,16+/m0/s1
InChIKey LITDOSAZPRIJRA-CQJMVSDSSA-N
Mol Weight 438.5 g/mol
Molecular Formula C21H34N4O6
Exact Mass 438.247835 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2PzaPkYUTxX
Name JM47;CYCLO-[L-ALANYL-D-ALANYL-[(2S,9S)-2-AMINO-9-HYDROXY-8-OXODECANOYL]-D-PROLYL]
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H34N4O6
InChI InChI=1S/C21H34N4O6/c1-12-18(28)22-13(2)19(29)24-15(8-5-4-6-10-17(27)14(3)26)21(31)25-11-7-9-16(25)20(30)23-12/h12-16,26H,4-11H2,1-3H3,(H,22,28)(H,23,30)(H,24,29)/t12-,13+,14+,15-,16+/m0/s1
InChIKey LITDOSAZPRIJRA-CQJMVSDSSA-N
Literature Reference Author Z.JIANG,M.O.BARRET,K.G.BOYD,D.R.ADAMS,A.S.F.BOYD,J.G.BURGESS
Literature Reference Citation PHYTOCHEM.,60,33(2002)
Literature Reference DOI 10.1016/S0031-9422(02)00061-4
Molecular Weight 438.524 g/mol
Solvent CDCl3
Source File Reference UWMS1547