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(2S,3R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylmethoxy-6-prop-2-enyl-1-piperidinecarboxylic acid (phenylmethyl) ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(2S,3R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylmethoxy-6-prop-2-enyl-1-piperidinecarboxylic acid (phenylmethyl) ester
SpectraBase Compound ID HHmGD23h8A0
InChI InChI=1S/C40H47NO4Si/c1-5-18-34-27-28-38(43-29-32-19-10-6-11-20-32)37(41(34)39(42)44-30-33-21-12-7-13-22-33)31-45-46(40(2,3)4,35-23-14-8-15-24-35)36-25-16-9-17-26-36/h5-17,19-26,34,37-38H,1,18,27-31H2,2-4H3/t34-,37+,38-/m1/s1
InChIKey VSAOFYICIFXFKI-CRXACVATSA-N
Mol Weight 633.9 g/mol
Molecular Formula C40H47NO4Si
Exact Mass 633.327436 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7qklOJkCc07
Name (2S,3R,6S)-2-[[Tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylmethoxy-6-prop-2-enyl-1-piperidinecarboxylic acid (phenylmethyl) ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 633.327435528 u
Formula C40H47NO4Si
InChI InChI=1S/C40H47NO4Si/c1-5-18-34-27-28-38(43-29-32-19-10-6-11-20-32)37(41(34)39(42)44-30-33-21-12-7-13-22-33)31-45-46(40(2,3)4,35-23-14-8-15-24-35)36-25-16-9-17-26-36/h5-17,19-26,34,37-38H,1,18,27-31H2,2-4H3/t34-,37+,38-/m1/s1
InChIKey VSAOFYICIFXFKI-CRXACVATSA-N
Molecular Weight 633.904 g/mol
SMILES [C@@]1(N([C@@](CC[C@]1(OCC=1C=CC=CC1)[H])(CC=C)[H])C(=O)OCC=1C=CC=CC1)(CO[Si](C=1C=CC=CC1)(C=1C=CC=CC1)C(C)(C)C)[H]