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DIANTHIN-E;CYCLO-(GLY-(1)-PRO-(2)-ILE-(3)-SER-(4)-PHE-(5)-VAL-(6))
SpectraBase Compound ID KRTy9csTqg8
InChI InChI=1S/C30H44N6O7/c1-5-18(4)25-30(43)36-13-9-12-22(36)28(41)31-15-23(38)34-24(17(2)3)29(42)32-20(14-19-10-7-6-8-11-19)26(39)33-21(16-37)27(40)35-25/h6-8,10-11,17-18,20-22,24-25,37H,5,9,12-16H2,1-4H3,(H,31,41)(H,32,42)(H,33,39)(H,34,38)(H,35,40)/t18?,20-,21+,22-,24+,25-/m0/s1
InChIKey NHNDCMROOPKDNF-DEQORZITSA-N
Mol Weight 600.7 g/mol
Molecular Formula C30H44N6O7
Exact Mass 600.327148 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 32PVBjrrdJq
Name DIANTHIN-E;CYCLO-(GLY-(1)-PRO-(2)-ILE-(3)-SER-(4)-PHE-(5)-VAL-(6))
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H44N6O7
InChI InChI=1S/C30H44N6O7/c1-5-18(4)25-30(43)36-13-9-12-22(36)28(41)31-15-23(38)34-24(17(2)3)29(42)32-20(14-19-10-7-6-8-11-19)26(39)33-21(16-37)27(40)35-25/h6-8,10-11,17-18,20-22,24-25,37H,5,9,12-16H2,1-4H3,(H,31,41)(H,32,42)(H,33,39)(H,34,38)(H,35,40)/t18?,20-,21+,22-,24+,25-/m0/s1
InChIKey NHNDCMROOPKDNF-DEQORZITSA-N
Literature Reference Author P.W.HSIEH,F.R.CHANG,C.C.WU,K.Y.WU,C.M.LI,S.L.CHEN,Y.W.WU
Literature Reference Citation J.NAT.PROD.,67,1522(2004)
Literature Reference DOI 10.1021/np040036v
Molecular Weight 600.715 g/mol
Solvent C5D5N