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

*Links on SpectraBase are not permalinks.
BIOT-4-(PARA)-2;N-[3-DIPHENYLPHOSPHANYL-2-[(DIPHENYLPHOSPHANYL)-METHYL]-2-METHYL-PROPYL]-4-[5-(2-OXO-HEXAHYDROTHIENO-[3,4-D]-IMIDAZOL-4-YL)-PENTANOYLAMI
SpectraBase Compound ID DmD6vTaZTEb
InChI InChI=1S/C46H50N4O3P2S/c1-46(32-54(36-16-6-2-7-17-36)37-18-8-3-9-19-37,33-55(38-20-10-4-11-21-38)39-22-12-5-13-23-39)31-47-44(52)34-26-28-35(29-27-34)48-42(51)25-15-14-24-41-43-40(30-56-41)49-45(53)50-43/h2-13,16-23,26-29,40-41,43H,14-15,24-25,30-33H2,1H3,(H,47,52)(H,48,51)(H2,49,50,53)/t40-,41-,43-/m0/s1
InChIKey CVYDGFHPGCYVSG-HMWSTLFVSA-N
Mol Weight 800.9 g/mol
Molecular Formula C46H50N4O3P2S
Exact Mass 800.307887 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID HxXY3Ewi88k
Name BIOT-4-(PARA)-2;N-[3-DIPHENYLPHOSPHANYL-2-[(DIPHENYLPHOSPHANYL)-METHYL]-2-METHYL-PROPYL]-4-[5-(2-OXO-HEXAHYDROTHIENO-[3,4-D]-IMIDAZOL-4-YL)-PENTANOYLAMI
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H50N4O3P2S
InChI InChI=1S/C46H50N4O3P2S/c1-46(32-54(36-16-6-2-7-17-36)37-18-8-3-9-19-37,33-55(38-20-10-4-11-21-38)39-22-12-5-13-23-39)31-47-44(52)34-26-28-35(29-27-34)48-42(51)25-15-14-24-41-43-40(30-56-41)49-45(53)50-43/h2-13,16-23,26-29,40-41,43H,14-15,24-25,30-33H2,1H3,(H,47,52)(H,48,51)(H2,49,50,53)/t40-,41-,43-/m0/s1
InChIKey CVYDGFHPGCYVSG-HMWSTLFVSA-N
Literature Reference Author M.SKANDER,N.HUMBERT,J.COLLOT,J.GRADINARU,G.KLEIN,A.LOOSLI,J. SAUSER,A.ZOCCHI,F.GI
Literature Reference Citation J.AM.CHEM.SOC.,126,14411(2004)
Literature Reference DOI 10.1021/ja0476718
Molecular Weight 800.936 g/mol
Solvent CDCl3
Source File Reference UWVN32499