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benzyl (7(2)R,7(6)R,5S)-5-((tert-butyldiphenylsilyl)oxy)-1(6),9-dihydroxy-2(6)-methoxy-7(2,6)-piperidina-1,2(1,3)-dibenzenacycloundecaphane-7(1)-carboxylate
SpectraBase Compound ID ENilRKKhwrP
InChI InChI=1S/C50H59NO6Si/c1-50(2,3)58(43-19-10-6-11-20-43,44-21-12-7-13-22-44)57-42-28-24-37-26-30-48(55-4)46(32-37)45-31-36(25-29-47(45)53)23-27-41(52)33-39-17-14-18-40(34-42)51(39)49(54)56-35-38-15-8-5-9-16-38/h5-13,15-16,19-22,25-26,29-32,39-42,52-53H,14,17-18,23-24,27-28,33-35H2,1-4H3/t39-,40-,41?,42?/m1/s1
InChIKey RZVYXGZUSKDXKC-PPSFMLEKSA-N
Mol Weight 798.1 g/mol
Molecular Formula C50H59NO6Si
Exact Mass 797.411165 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JbsXE4HvwNC
Name benzyl (7(2)R,7(6)R,5S)-5-((tert-butyldiphenylsilyl)oxy)-1(6),9-dihydroxy-2(6)-methoxy-7(2,6)-piperidina-1,2(1,3)-dibenzenacycloundecaphane-7(1)-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C50H59NO6Si
InChI InChI=1S/C50H59NO6Si/c1-50(2,3)58(43-19-10-6-11-20-43,44-21-12-7-13-22-44)57-42-28-24-37-26-30-48(55-4)46(32-37)45-31-36(25-29-47(45)53)23-27-41(52)33-39-17-14-18-40(34-42)51(39)49(54)56-35-38-15-8-5-9-16-38/h5-13,15-16,19-22,25-26,29-32,39-42,52-53H,14,17-18,23-24,27-28,33-35H2,1-4H3/t39-,40-,41?,42?/m1/s1
InChIKey RZVYXGZUSKDXKC-PPSFMLEKSA-N
Literature Reference DOI 10.1002/anie.201402550
Molecular Weight 798.108 g/mol
SMILES Oc1c2-c3cc(CCC(C[C@]4(CCC[C@](CC(CCc(cc1)c2)O)(N4C(OCc1ccccc1)=O)[H])[H])O[Si](C(C)(C)C)(c1ccccc1)c1ccccc1)ccc3OC
SPLASH splash10-015c-1000019300-2431d7914aec410d19ad
Source of Spectrum ACI-53-SMS-16-23
Wiley ID 1782523