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

View entire compound with spectra: 2 NMR

BIOT-3-(4)-2;[5-(2-OXO-HEXAHYDROTHIENO-[3,4-D]-IMIDAZOL-4-YL)-PENTANOIC-ACID-(4-[3-DIPHENYLPHOSPHANYL-2-[(DIPHENYLPHOSPHANYL)-METHYL]-2-METHYL-PROPYLCARB
SpectraBase Compound ID Lrhk3cKw2JM
InChI InChI=1S/C44H54N4O3P2S/c1-44(32-52(34-18-6-2-7-19-34)35-20-8-3-9-21-35,33-53(36-22-10-4-11-23-36)37-24-12-5-13-25-37)31-46-41(50)28-16-17-29-45-40(49)27-15-14-26-39-42-38(30-54-39)47-43(51)48-42/h2-13,18-25,38-39,42H,14-17,26-33H2,1H3,(H,45,49)(H,46,50)(H2,47,48,51)/t38-,39-,42-/m0/s1
InChIKey CAHMVTNQFPWLPN-QVJBFNAFSA-N
Mol Weight 780.9 g/mol
Molecular Formula C44H54N4O3P2S
Exact Mass 780.339187 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AGKBKLxCK01
Name BIOT-3-(4)-2;[5-(2-OXO-HEXAHYDROTHIENO-[3,4-D]-IMIDAZOL-4-YL)-PENTANOIC-ACID-(4-[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 C44H54N4O3P2S
InChI InChI=1S/C44H54N4O3P2S/c1-44(32-52(34-18-6-2-7-19-34)35-20-8-3-9-21-35,33-53(36-22-10-4-11-23-36)37-24-12-5-13-25-37)31-46-41(50)28-16-17-29-45-40(49)27-15-14-26-39-42-38(30-54-39)47-43(51)48-42/h2-13,18-25,38-39,42H,14-17,26-33H2,1H3,(H,45,49)(H,46,50)(H2,47,48,51)/t38-,39-,42-/m0/s1
InChIKey CAHMVTNQFPWLPN-QVJBFNAFSA-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 UWVN32495