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HC-TOXIN-3;CYCLO-[ALA-ALA-(2-AMINO-8-OXO-9,10-EPOXY-DECANOYL)-TRANS-3-HYPRO]
SpectraBase Compound ID GgNSM7kEezb
InChI InChI=1S/C21H32N4O7/c1-11-18(28)22-12(2)19(29)24-13(6-4-3-5-7-14(26)16-10-32-16)21(31)25-9-8-15(27)17(25)20(30)23-11/h11-13,15-17,27H,3-10H2,1-2H3,(H,22,28)(H,23,30)(H,24,29)
InChIKey NZFQDHZWYOBUCF-UHFFFAOYSA-N
Mol Weight 452.5 g/mol
Molecular Formula C21H32N4O7
Exact Mass 452.227099 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AsDL1714NNf
Name HC-TOXIN-3;CYCLO-[ALA-ALA-(2-AMINO-8-OXO-9,10-EPOXY-DECANOYL)-TRANS-3-HYPRO]
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H32N4O7
InChI InChI=1S/C21H32N4O7/c1-11-18(28)22-12(2)19(29)24-13(6-4-3-5-7-14(26)16-10-32-16)21(31)25-9-8-15(27)17(25)20(30)23-11/h11-13,15-17,27H,3-10H2,1-2H3,(H,22,28)(H,23,30)(H,24,29)
InChIKey NZFQDHZWYOBUCF-UHFFFAOYSA-N
Literature Reference Author S.P.TANIS,B.A.HORENSTEIN,R.P.SCHEFFER,J.B.RASMUSSEN
Literature Reference Citation HETEROCYCLES,24,3423(1986)
Literature Reference DOI 10.3987/R-1986-12-3423
Molecular Weight 452.508 g/mol
Solvent CDCl3
Source File Reference UWCS9312