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(2S,3R)-2-(N,N-Dibenzylamino)-4-octadecyne-1,3-diol

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

(2S,3R)-2-(N,N-Dibenzylamino)-4-octadecyne-1,3-diol
SpectraBase Compound ID JMqZSj4icHO
InChI InChI=1S/C32H47NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-25-32(35)31(28-34)33(26-29-21-16-14-17-22-29)27-30-23-18-15-19-24-30/h14-19,21-24,31-32,34-35H,2-13,26-28H2,1H3/t31-,32+/m0/s1
InChIKey YDNCEBTUVAAMED-AJQTZOPKSA-N
Mol Weight 477.7 g/mol
Molecular Formula C32H47NO2
Exact Mass 477.36068 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5gAidM4Ov02
Name (2S,3R)-2-(N,N-Dibenzylamino)-4-octadecyne-1,3-diol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 477.360679755 u
Formula C32H47NO2
InChI InChI=1S/C32H47NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-25-32(35)31(28-34)33(26-29-21-16-14-17-22-29)27-30-23-18-15-19-24-30/h14-19,21-24,31-32,34-35H,2-13,26-28H2,1H3/t31-,32+/m0/s1
InChIKey YDNCEBTUVAAMED-AJQTZOPKSA-N
Molecular Weight 477.733 g/mol
SMILES [C@](N(CC1=CC=CC=C1)CC1=CC=CC=C1)([C@@](C#CCCCCCCCCCCCCC)(O)[H])(CO)[H]