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CYClO-(D-PROLIN-L-ALANIN-D-ALANIN-L-2-AMINO-9,10-EPOXI-8-OXODECANOIC-ACID);HC-TOXIN;C-13-LABELLED
SpectraBase Compound ID LjTu7Z5GvDZ
InChI InChI=1S/C21H32N4O6/c1-12-18(27)22-13(2)19(28)24-14(7-4-3-5-9-16(26)17-11-31-17)21(30)25-10-6-8-15(25)20(29)23-12/h12-15,17H,3-11H2,1-2H3,(H,22,27)(H,23,29)(H,24,28)
InChIKey GNYCTMYOHGBSBI-UHFFFAOYSA-N
Mol Weight 436.5 g/mol
Molecular Formula C21H32N4O6
Exact Mass 436.232185 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hq4YiwrVXJN
Name CYClO-(D-PROLIN-L-ALANIN-D-ALANIN-L-2-AMINO-9,10-EPOXI-8-OXODECANOIC-ACID);HC-TOXIN;C-13-LABELLED
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H32N4O6
InChI InChI=1S/C21H32N4O6/c1-12-18(27)22-13(2)19(28)24-14(7-4-3-5-9-16(26)17-11-31-17)21(30)25-10-6-8-15(25)20(29)23-12/h12-15,17H,3-11H2,1-2H3,(H,22,27)(H,23,29)(H,24,28)
InChIKey GNYCTMYOHGBSBI-UHFFFAOYSA-N
Literature Reference Author Y.Q.CHENG,L.D.LE,J.D.WALTON,K.D.BISHOP
Literature Reference Citation J.NAT.PROD.,62,143(1999)
Literature Reference DOI 10.1021/np980209e
Molecular Weight 436.508 g/mol
Solvent CDCl3
Source File Reference UWCS19657