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1,12-DODECANO-BIS-(L-LEU-L-PHE-L-PHE)
SpectraBase Compound ID 6RN6D4nohQ5
InChI InChI=1S/C60H86N8O6/c1-43(2)37-51(67-59(73)53(41-47-31-21-15-22-32-47)65-55(69)49(61)39-45-27-17-13-18-28-45)57(71)63-35-25-11-9-7-5-6-8-10-12-26-36-64-58(72)52(38-44(3)4)68-60(74)54(42-48-33-23-16-24-34-48)66-56(70)50(62)40-46-29-19-14-20-30-46/h13-24,27-34,43-44,49-54H,5-12,25-26,35-42,61-62H2,1-4H3,(H,63,71)(H,64,72)(H,65,69)(H,66,70)(H,67,73)(H,68,74)/t49-,50-,51+,52+,53+,54+/m1/s1
InChIKey ZAKLPPNTEFQARQ-HBIASZOZSA-N
Mol Weight 1015.4 g/mol
Molecular Formula C60H86N8O6
Exact Mass 1014.667033 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FFmwxaKduCL
Name 1,12-DODECANO-BIS-(L-LEU-L-PHE-L-PHE)
Compound Number 10G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C60H86N8O6
InChI InChI=1S/C60H86N8O6/c1-43(2)37-51(67-59(73)53(41-47-31-21-15-22-32-47)65-55(69)49(61)39-45-27-17-13-18-28-45)57(71)63-35-25-11-9-7-5-6-8-10-12-26-36-64-58(72)52(38-44(3)4)68-60(74)54(42-48-33-23-16-24-34-48)66-56(70)50(62)40-46-29-19-14-20-30-46/h13-24,27-34,43-44,49-54H,5-12,25-26,35-42,61-62H2,1-4H3,(H,63,71)(H,64,72)(H,65,69)(H,66,70)(H,67,73)(H,68,74)/t49-,50-,51+,52+,53+,54+/m1/s1
InChIKey ZAKLPPNTEFQARQ-HBIASZOZSA-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 1015.393 g/mol
Solvent CDCl3:DMSO-D6
Source File Reference UWVN4314