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VERQYLISMRLUIT-IDZRBWSNSA-N

View entire compound with spectra: 1 NMR

VERQYLISMRLUIT-IDZRBWSNSA-N
SpectraBase Compound ID H3bSMPRrSlz
InChI InChI=1S/C42H54N6O9S3/c49-34(55-25-10-4-1-5-11-25)19-16-28-40-46-32(22-58-40)38(53)44-30(18-21-36(51)57-27-14-8-3-9-15-27)42-48-33(24-60-42)39(54)45-29(41-47-31(23-59-41)37(52)43-28)17-20-35(50)56-26-12-6-2-7-13-26/h22-30H,1-21H2,(H,43,52)(H,44,53)(H,45,54)/t28-,29-,30-/m1/s1
InChIKey VERQYLISMRLUIT-IDZRBWSNSA-N
Mol Weight 883.1 g/mol
Molecular Formula C42H54N6O9S3
Exact Mass 882.311441 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IlxaOkQ5S5G
Name VERQYLISMRLUIT-IDZRBWSNSA-N
Compound Number 10A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H54N6O9S3
InChI InChI=1S/C42H54N6O9S3/c49-34(55-25-10-4-1-5-11-25)19-16-28-40-46-32(22-58-40)38(53)44-30(18-21-36(51)57-27-14-8-3-9-15-27)42-48-33(24-60-42)39(54)45-29(41-47-31(23-59-41)37(52)43-28)17-20-35(50)56-26-12-6-2-7-13-26/h22-30H,1-21H2,(H,43,52)(H,44,53)(H,45,54)/t28-,29-,30-/m1/s1
InChIKey VERQYLISMRLUIT-IDZRBWSNSA-N
Literature Reference Author Y.SINGH,N.SOKOLENKO,M.J.KELSO,L.R.GAHAN,G.ABBENANTE,D.P.FAIR LIE
Literature Reference Citation J.AM.CHEM.SOC.,123,333(2001)
Literature Reference DOI 10.1021/ja002666z
Molecular Weight 883.106 g/mol
Solvent CDCl3
Source File Reference UWVN28571