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BIOT-3-(1)-1;6-(2-OXO-HEXAHYDROTHIENO-[3,4-D]-IMIDAZOL-6-YL)-HEXANOIC-ACID-[[BIS-(2-DIPHENYLPHOSPHANYL-ETHYL)-CARBAMOYL]-METHYL]-AMIDE

View entire compound with spectra: 2 NMR

BIOT-3-(1)-1;6-(2-OXO-HEXAHYDROTHIENO-[3,4-D]-IMIDAZOL-6-YL)-HEXANOIC-ACID-[[BIS-(2-DIPHENYLPHOSPHANYL-ETHYL)-CARBAMOYL]-METHYL]-AMIDE
SpectraBase Compound ID 4mOrYzmXRJg
InChI InChI=1S/C40H46N4O3P2S/c45-37(24-14-13-23-36-39-35(30-50-36)42-40(47)43-39)41-29-38(46)44(25-27-48(31-15-5-1-6-16-31)32-17-7-2-8-18-32)26-28-49(33-19-9-3-10-20-33)34-21-11-4-12-22-34/h1-12,15-22,35-36,39H,13-14,23-30H2,(H,41,45)(H2,42,43,47)/t35-,36-,39-/m0/s1
InChIKey PDGZYHGUBXTSHN-YFTHYISFSA-N
Mol Weight 724.8 g/mol
Molecular Formula C40H46N4O3P2S
Exact Mass 724.276587 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CyCBXJPUK3X
Name BIOT-3-(1)-1;6-(2-OXO-HEXAHYDROTHIENO-[3,4-D]-IMIDAZOL-6-YL)-HEXANOIC-ACID-[[BIS-(2-DIPHENYLPHOSPHANYL-ETHYL)-CARBAMOYL]-METHYL]-AMIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H46N4O3P2S
InChI InChI=1S/C40H46N4O3P2S/c45-37(24-14-13-23-36-39-35(30-50-36)42-40(47)43-39)41-29-38(46)44(25-27-48(31-15-5-1-6-16-31)32-17-7-2-8-18-32)26-28-49(33-19-9-3-10-20-33)34-21-11-4-12-22-34/h1-12,15-22,35-36,39H,13-14,23-30H2,(H,41,45)(H2,42,43,47)/t35-,36-,39-/m0/s1
InChIKey PDGZYHGUBXTSHN-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
Molecular Weight 724.838 g/mol
Solvent CDCl3
Source File Reference UWVN32484