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CHERIMOLACYCLOPEPTIDE_E;CYCLO-LEU-(1)-GLY-(2)-PRO-(3)-TYR-(OH)-(4)-PHE-(5)-GLY-(6);SYNTHETIC
SpectraBase Compound ID IVBpGawLxEb
InChI InChI=1S/C33H42N6O7/c1-20(2)15-24-30(43)34-18-28(41)37-25(16-21-7-4-3-5-8-21)31(44)38-26(17-22-10-12-23(40)13-11-22)33(46)39-14-6-9-27(39)32(45)35-19-29(42)36-24/h3-5,7-8,10-13,20,24-27,40H,6,9,14-19H2,1-2H3,(H,34,43)(H,35,45)(H,36,42)(H,37,41)(H,38,44)/t24-,25-,26-,27-/m0/s1
InChIKey AXEBEJWQIWQEHF-FWEHEUNISA-N
Mol Weight 634.7 g/mol
Molecular Formula C33H42N6O7
Exact Mass 634.311498 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I3UMXVqDVb8
Name CHERIMOLACYCLOPEPTIDE_E;CYCLO-LEU-(1)-GLY-(2)-PRO-(3)-TYR-(OH)-(4)-PHE-(5)-GLY-(6);SYNTHETIC
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H42N6O7
InChI InChI=1S/C33H42N6O7/c1-20(2)15-24-30(43)34-18-28(41)37-25(16-21-7-4-3-5-8-21)31(44)38-26(17-22-10-12-23(40)13-11-22)33(46)39-14-6-9-27(39)32(45)35-19-29(42)36-24/h3-5,7-8,10-13,20,24-27,40H,6,9,14-19H2,1-2H3,(H,34,43)(H,35,45)(H,36,42)(H,37,41)(H,38,44)/t24-,25-,26-,27-/m0/s1
InChIKey AXEBEJWQIWQEHF-FWEHEUNISA-N
Literature Reference Author F.SHAHEEN,T.S.RIZVIM,S.G.MUSHARRAF,A.GANESAN,K.XIAO,J.B.TOWN SEND,K.S.LAM,M.I.CHO
Literature Reference Citation J.NAT.PROD.,75,1882(2012)
Literature Reference DOI 10.1021/np300266e
Molecular Weight 634.732 g/mol
Sample ID 41572
Solvent C5D5N