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BIOT-3-(2)-2;[5-(2-OXO-HEXAHYDROTHIENO-[3,4-D]-IMIDAZOL-4-YL)-PENTANOIC-ACID-[2-[3-DIPHENYLPHOSPHANYL-2-[(DIPHENYLPHOSPHANYL)-METHYL]-2-METHYL-PROPYLCARB

View entire compound with spectra: 2 NMR

BIOT-3-(2)-2;[5-(2-OXO-HEXAHYDROTHIENO-[3,4-D]-IMIDAZOL-4-YL)-PENTANOIC-ACID-[2-[3-DIPHENYLPHOSPHANYL-2-[(DIPHENYLPHOSPHANYL)-METHYL]-2-METHYL-PROPYLCARB
SpectraBase Compound ID 9hrtBE8jk0j
InChI InChI=1S/C42H50N4O3P2S/c1-42(30-50(32-16-6-2-7-17-32)33-18-8-3-9-19-33,31-51(34-20-10-4-11-21-34)35-22-12-5-13-23-35)29-44-39(48)26-27-43-38(47)25-15-14-24-37-40-36(28-52-37)45-41(49)46-40/h2-13,16-23,36-37,40H,14-15,24-31H2,1H3,(H,43,47)(H,44,48)(H2,45,46,49)/t36-,37-,40-/m0/s1
InChIKey KGROCCZRXAIBIW-HKGQQODZSA-N
Mol Weight 752.9 g/mol
Molecular Formula C42H50N4O3P2S
Exact Mass 752.307887 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A317D7HiLEv
Name BIOT-3-(2)-2;[5-(2-OXO-HEXAHYDROTHIENO-[3,4-D]-IMIDAZOL-4-YL)-PENTANOIC-ACID-[2-[3-DIPHENYLPHOSPHANYL-2-[(DIPHENYLPHOSPHANYL)-METHYL]-2-METHYL-PROPYLCARB
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H50N4O3P2S
InChI InChI=1S/C42H50N4O3P2S/c1-42(30-50(32-16-6-2-7-17-32)33-18-8-3-9-19-33,31-51(34-20-10-4-11-21-34)35-22-12-5-13-23-35)29-44-39(48)26-27-43-38(47)25-15-14-24-37-40-36(28-52-37)45-41(49)46-40/h2-13,16-23,36-37,40H,14-15,24-31H2,1H3,(H,43,47)(H,44,48)(H2,45,46,49)/t36-,37-,40-/m0/s1
InChIKey KGROCCZRXAIBIW-HKGQQODZSA-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
Solvent CDCl3
Source File Reference UWVN32493