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(1'R,3R,4S)-3-Hydroxy-4-[(2-methoxyethoxy)methoxy]pentanoic acid 2'-hydroxy-1',2',2'-triphenylethyl ester
SpectraBase Compound ID 9Y7cpLAkixS
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
Mol Weight 494.6 g/mol
Molecular Formula C29H34O7
Exact Mass 494.230453 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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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]