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(2S,3R,5S)-2,3-dihydroxy-5-phenylmethoxytetradecanoic acid ethyl ester
SpectraBase Compound ID 339KDPn4AFu
InChI InChI=1S/C23H38O5/c1-3-5-6-7-8-9-13-16-20(28-18-19-14-11-10-12-15-19)17-21(24)22(25)23(26)27-4-2/h10-12,14-15,20-22,24-25H,3-9,13,16-18H2,1-2H3/t20-,21+,22-/m0/s1
InChIKey VELJGDGAALJGRB-BDTNDASRSA-N
Mol Weight 394.6 g/mol
Molecular Formula C23H38O5
Exact Mass 394.271924 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B9jxXfdWVYw
Name (2S,3R,5S)-2,3-Dihydroxy-5-phenylmethoxytetradecanoic acid ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 394.271924319 u
Formula C23H38O5
InChI InChI=1S/C23H38O5/c1-3-5-6-7-8-9-13-16-20(28-18-19-14-11-10-12-15-19)17-21(24)22(25)23(26)27-4-2/h10-12,14-15,20-22,24-25H,3-9,13,16-18H2,1-2H3/t20-,21+,22-/m0/s1
InChIKey VELJGDGAALJGRB-BDTNDASRSA-N
Molecular Weight 394.552 g/mol
SMILES [C@](C(=O)OCC)([C@@](C[C@@](OCC1=CC=CC=C1)(CCCCCCCCC)[H])(O)[H])(O)[H]