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] |