John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=8CFcXdnjv9r SpectraBase Spectrum ID=1jA4TNwMe0w

(accessed ).
(3S,4E,6S)-7-(TERT.-BUTYL-DIPHENYLSILYLOXY)-3-HYDROXY-1-[(4S)-4-ISOPROPYL-2-THIOXOTHIAZOLIDIN-3-YL)-4,6-DIMETHYLHEPT-4-EN-1-ONE
SpectraBase Compound ID 8CFcXdnjv9r
InChI InChI=1S/C31H43NO3S2Si/c1-22(2)27-21-37-30(36)32(27)29(34)19-28(33)24(4)18-23(3)20-35-38(31(5,6)7,25-14-10-8-11-15-25)26-16-12-9-13-17-26/h8-18,22-23,27-28,33H,19-21H2,1-7H3/b24-18+/t23-,27+,28-/m1/s1
InChIKey NEYRTAKLYGOCFA-BGVQRFNRSA-N
Mol Weight 569.9 g/mol
Molecular Formula C31H43NO3S2Si
Exact Mass 569.245367 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1jA4TNwMe0w
Name (3S,4E,6S)-7-(TERT.-BUTYL-DIPHENYLSILYLOXY)-3-HYDROXY-1-[(4S)-4-ISOPROPYL-2-THIOXOTHIAZOLIDIN-3-YL)-4,6-DIMETHYLHEPT-4-EN-1-ONE
Compound Number 16
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H43NO3S2Si
InChI InChI=1S/C31H43NO3S2Si/c1-22(2)27-21-37-30(36)32(27)29(34)19-28(33)24(4)18-23(3)20-35-38(31(5,6)7,25-14-10-8-11-15-25)26-16-12-9-13-17-26/h8-18,22-23,27-28,33H,19-21H2,1-7H3/b24-18+/t23-,27+,28-/m1/s1
InChIKey NEYRTAKLYGOCFA-BGVQRFNRSA-N
Literature Reference Author T.FRENZEL,M.BRUNJES,M.QUITSCHALLE,A.KIRSCHNING
Literature Reference Citation ORG.LETTERS,8,135(2006)
Literature Reference DOI 10.1021/ol052588q
Molecular Weight 569.893 g/mol
Sample ID 53310
Solvent CDCl3
SpectraBase Batch ID 1Y5aDucTWos