John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=1kQ7iqlibP8 SpectraBase Spectrum ID=2aGI12iktAP

(accessed ).
1,2-ETHANO-BIS-(L-PHE-L-PHE-L-VAL)
SpectraBase Compound ID 1kQ7iqlibP8
InChI InChI=1S/C48H62N8O6/c1-31(2)41(49)47(61)55-39(29-35-21-13-7-14-22-35)45(59)53-37(27-33-17-9-5-10-18-33)43(57)51-25-26-52-44(58)38(28-34-19-11-6-12-20-34)54-46(60)40(30-36-23-15-8-16-24-36)56-48(62)42(50)32(3)4/h5-24,31-32,37-42H,25-30,49-50H2,1-4H3,(H,51,57)(H,52,58)(H,53,59)(H,54,60)(H,55,61)(H,56,62)/t37-,38+,39-,40+,41+,42-
InChIKey KGPFDMMNQLFJFI-UVROTBNGSA-N
Mol Weight 847.1 g/mol
Molecular Formula C48H62N8O6
Exact Mass 846.479232 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2aGI12iktAP
Name 1,2-ETHANO-BIS-(L-PHE-L-PHE-L-VAL)
Compound Number 16B
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H62N8O6
InChI InChI=1S/C48H62N8O6/c1-31(2)41(49)47(61)55-39(29-35-21-13-7-14-22-35)45(59)53-37(27-33-17-9-5-10-18-33)43(57)51-25-26-52-44(58)38(28-34-19-11-6-12-20-34)54-46(60)40(30-36-23-15-8-16-24-36)56-48(62)42(50)32(3)4/h5-24,31-32,37-42H,25-30,49-50H2,1-4H3,(H,51,57)(H,52,58)(H,53,59)(H,54,60)(H,55,61)(H,56,62)/t37-,38+,39-,40+,41+,42-
InChIKey KGPFDMMNQLFJFI-UVROTBNGSA-N
Literature Reference Author S.KOBAYASHI,H.KOBAYASHI,T.YAMAGUCHI,M.NISHIDA,K.YAMAGUCHI,M. KURIHARA,N.MIYATA,A.
Literature Reference Citation CHEM.PHARM.BULL.,48,920(2000)
Literature Reference DOI 10.1248/cpb.48.920
Molecular Weight 847.070 g/mol
Solvent CDCl3:DMSO-D6
Source File Reference UWVN4315
SpectraBase Batch ID A2oX7i8xwoU