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BIOT-3-(5)-2;[6-[5-(2-OXO-HEXAHYDROTHIENO-[3,4-D]-IMIDAZOL-4-YL)-PENTANOYLAMINO]-HEXANOIC-ACID-[3-DIPHENYLPHOSPHANYL-2-[(DIPHENYLPHOSPHANYL)-METHYL]-2-ME
SpectraBase Compound ID 68ljgclC4jY
InChI InChI=1S/C45H56N4O3P2S/c1-45(33-53(35-19-7-2-8-20-35)36-21-9-3-10-22-36,34-54(37-23-11-4-12-24-37)38-25-13-5-14-26-38)32-47-42(51)28-15-6-18-30-46-41(50)29-17-16-27-40-43-39(31-55-40)48-44(52)49-43/h2-5,7-14,19-26,39-40,43H,6,15-18,27-34H2,1H3,(H,46,50)(H,47,51)(H2,48,49,52)/t39-,40-,43-/m0/s1
InChIKey BFHJXQOMTRBOCX-RNMNAOLMSA-N
Mol Weight 795.0 g/mol
Molecular Formula C45H56N4O3P2S
Exact Mass 794.354837 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KQa4QG7uC3p
Name BIOT-3-(5)-2;[6-[5-(2-OXO-HEXAHYDROTHIENO-[3,4-D]-IMIDAZOL-4-YL)-PENTANOYLAMINO]-HEXANOIC-ACID-[3-DIPHENYLPHOSPHANYL-2-[(DIPHENYLPHOSPHANYL)-METHYL]-2-ME
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H56N4O3P2S
InChI InChI=1S/C45H56N4O3P2S/c1-45(33-53(35-19-7-2-8-20-35)36-21-9-3-10-22-36,34-54(37-23-11-4-12-24-37)38-25-13-5-14-26-38)32-47-42(51)28-15-6-18-30-46-41(50)29-17-16-27-40-43-39(31-55-40)48-44(52)49-43/h2-5,7-14,19-26,39-40,43H,6,15-18,27-34H2,1H3,(H,46,50)(H,47,51)(H2,48,49,52)/t39-,40-,43-/m0/s1
InChIKey BFHJXQOMTRBOCX-RNMNAOLMSA-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 794.972 g/mol
Solvent CDCl3
Source File Reference UWVN32496