For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

BOUND-FORM

Compound with spectra: 2 NMR

BOUND-FORM
SpectraBase Compound ID 7Qf3EVcY12f
InChI InChI=1S/C88H102Cl2N10O27/c1-39(2)13-10-8-6-7-9-11-14-63(107)94-72-76(111)74(109)61(37-101)125-87(72)127-79-59-31-44-32-60(79)123-56-24-19-43(29-51(56)89)73(108)71-86(120)98-69(81(115)92-25-12-26-100(4)5)49-33-45(103)34-58(124-88-78(113)77(112)75(110)62(38-102)126-88)64(49)48-28-41(17-22-53(48)104)67(83(117)99-71)95-84(118)68(44)96-85(119)70-50-35-47(36-55(106)65(50)90)122-57-30-42(18-23-54(57)105)66(91-3)82(116)93-52(80(114)97-70)27-40-15-20-46(121-59)21-16-40/h15-24,28-36,39,52,61-62,66-78,87-88,91,101-106,108-113H,6-14,25-27,37-38H2,1-5H3,(H,92,115)(H,93,116)(H,94,107)(H,95,118)(H,96,119)(H,97,114)(H,98,120)(H,99,117)/t52?,61-,62+,66?,67?,68?,69?,70?,71?,72-,73?,74-,75+,76-,77-,78-,87+,88-/m0/s1
InChIKey YBHCRKSNNGPNKG-KICIHBFISA-N
Mol Weight 1802.7 g/mol
Molecular Formula C88H102Cl2N10O27
Exact Mass 1800.629293 g/mol
Enantiomer InChIKey YBHCRKSNNGPNKG-FQSNYWJYSA-N

View Spectrum of BOUND-FORM

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6

View Spectrum of BOUND-FORM

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
  • FREE-FORM
RA-A-1;MAJOR_CONFORMER;MDL_63,246
Title Journal or Book Year
3D Structure of the Complex of MDL 63,246 with the Cell Wall Model Peptide Ac2-Lys-d-Ala-d-Ala Journal of the American Chemical Society 1996

This compound is available in the following databases:

KnowItAll NMR Spectral Library
Author: Wiley

The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.

Other Resources
Unknown Identification

Search your unknown spectrum against the world's largest collection of reference spectra

KnowItAll Campus Solutions

KnowItAll offers faculty and students at your school access to all the tools you need for spectral analysis and structure drawing & publishing! Plus, access the world's largest spectral library.