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BIOT-3-(1)-2;[5-(2-OXO-HEXAHYDROTHIENO-[3,4-D]-IMIDAZOL-4-YL)-PENTANOIC-ACID-[3-DIPHENYLPHOSPHANYL-2-[(DIPHENYLPHOSPHANYL)-METHYL]-2-METHYL-PROPYLCARBAMO

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BIOT-3-(1)-2;[5-(2-OXO-HEXAHYDROTHIENO-[3,4-D]-IMIDAZOL-4-YL)-PENTANOIC-ACID-[3-DIPHENYLPHOSPHANYL-2-[(DIPHENYLPHOSPHANYL)-METHYL]-2-METHYL-PROPYLCARBAMO
SpectraBase Compound ID H65WQ0BSfK5
InChI InChI=1S/C41H48N4O3P2S/c1-41(29-49(31-16-6-2-7-17-31)32-18-8-3-9-19-32,30-50(33-20-10-4-11-21-33)34-22-12-5-13-23-34)28-43-38(47)26-42-37(46)25-15-14-24-36-39-35(27-51-36)44-40(48)45-39/h2-13,16-23,35-36,39H,14-15,24-30H2,1H3,(H,42,46)(H,43,47)(H2,44,45,48)/t35-,36-,39-/m0/s1
InChIKey TWEIDLCWOHPTPE-YFTHYISFSA-N
Mol Weight 738.9 g/mol
Molecular Formula C41H48N4O3P2S
Exact Mass 738.292237 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J734U5h2WTb
Name BIOT-3-(1)-2;[5-(2-OXO-HEXAHYDROTHIENO-[3,4-D]-IMIDAZOL-4-YL)-PENTANOIC-ACID-[3-DIPHENYLPHOSPHANYL-2-[(DIPHENYLPHOSPHANYL)-METHYL]-2-METHYL-PROPYLCARBAMO
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H48N4O3P2S
InChI InChI=1S/C41H48N4O3P2S/c1-41(29-49(31-16-6-2-7-17-31)32-18-8-3-9-19-32,30-50(33-20-10-4-11-21-33)34-22-12-5-13-23-34)28-43-38(47)26-42-37(46)25-15-14-24-36-39-35(27-51-36)44-40(48)45-39/h2-13,16-23,35-36,39H,14-15,24-30H2,1H3,(H,42,46)(H,43,47)(H2,44,45,48)/t35-,36-,39-/m0/s1
InChIKey TWEIDLCWOHPTPE-YFTHYISFSA-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 UWVN32492