John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=4DKy2j8UjeT SpectraBase Spectrum ID=5qfPVggrxp0

(accessed ).
SEGETALIN-D;CYCLO-(-GLY-LEU-SER-PHE-ALA-PHE-PRO-)
SpectraBase Compound ID 4DKy2j8UjeT
InChI InChI=1S/C37H49N7O8/c1-22(2)17-26-34(49)43-29(21-45)35(50)41-27(18-24-11-6-4-7-12-24)33(48)39-23(3)32(47)42-28(19-25-13-8-5-9-14-25)37(52)44-16-10-15-30(44)36(51)38-20-31(46)40-26/h4-9,11-14,22-23,26-30,45H,10,15-21H2,1-3H3,(H,38,51)(H,39,48)(H,40,46)(H,41,50)(H,42,47)(H,43,49)
InChIKey VYIVDIARTLHCNH-UHFFFAOYSA-N
Mol Weight 719.8 g/mol
Molecular Formula C37H49N7O8
Exact Mass 719.364262 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5qfPVggrxp0
Name SEGETALIN-D;CYCLO-(-GLY-LEU-SER-PHE-ALA-PHE-PRO-)
Compound Number 1
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H49N7O8
InChI InChI=1S/C37H49N7O8/c1-22(2)17-26-34(49)43-29(21-45)35(50)41-27(18-24-11-6-4-7-12-24)33(48)39-23(3)32(47)42-28(19-25-13-8-5-9-14-25)37(52)44-16-10-15-30(44)36(51)38-20-31(46)40-26/h4-9,11-14,22-23,26-30,45H,10,15-21H2,1-3H3,(H,38,51)(H,39,48)(H,40,46)(H,41,50)(H,42,47)(H,43,49)
InChIKey VYIVDIARTLHCNH-UHFFFAOYSA-N
Literature Reference Author H.MORITA,Y.S.YUN,K.TAKEYA,H.ITOKAWA
Literature Reference Citation CHEM.PHARM.BULL.,45,883(1997)
Literature Reference DOI 10.1248/cpb.45.883
Molecular Weight 719.838 g/mol
Solvent DMSO-D6
Source File Reference UWVN28840
SpectraBase Batch ID 1QGqjrtLs5K