SpectraBase Spectrum ID |
BER37mrA7fA |
Name |
(1'R,3R,4S)-3-Hydroxy-4-[(2-methoxyethoxy)methoxy]pentanoic acid 2'-hydroxy-1',2',2'-triphenylethyl ester |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
494.230453428 u |
Formula |
C29H34O7 |
InChI |
InChI=1S/C29H34O7/c1-22(35-21-34-19-18-33-2)26(30)20-27(31)36-28(23-12-6-3-7-13-23)29(32,24-14-8-4-9-15-24)25-16-10-5-11-17-25/h3-17,22,26,28,30,32H,18-21H2,1-2H3/t22-,26+,28+/m0/s1 |
InChIKey |
COFWEMQBKSKFPX-QBMXVRPASA-N |
Molecular Weight |
494.584 g/mol |
SMILES |
C(C[C@@](O)([C@@](OCOCCOC)(C)[H])[H])(=O)O[C@@](C(C1=CC=CC=C1)(C1=CC=CC=C1)O)(C=1C=CC=CC1)[H] |