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(2R,3S,4S)-2-[(Benzyloxymethoxy)methyl]-4-methyl-5-(trimethylacetoxy)pentan-1,3-diol
SpectraBase Compound ID IioSbNvCDEw
InChI InChI=1S/C20H32O6/c1-15(11-26-19(23)20(2,3)4)18(22)17(10-21)13-25-14-24-12-16-8-6-5-7-9-16/h5-9,15,17-18,21-22H,10-14H2,1-4H3/t15-,17+,18-/m0/s1
InChIKey ZRKJSTCSWOIIAB-JQHSSLGASA-N
Mol Weight 368.5 g/mol
Molecular Formula C20H32O6
Exact Mass 368.219889 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H42w8JhtcjQ
Name (2R,3S,4S)-2-[(Benzyloxymethoxy)methyl]-4-methyl-5-(trimethylacetoxy)pentan-1,3-diol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 368.219888744 u
Formula C20H32O6
InChI InChI=1S/C20H32O6/c1-15(11-26-19(23)20(2,3)4)18(22)17(10-21)13-25-14-24-12-16-8-6-5-7-9-16/h5-9,15,17-18,21-22H,10-14H2,1-4H3/t15-,17+,18-/m0/s1
InChIKey ZRKJSTCSWOIIAB-JQHSSLGASA-N
Molecular Weight 368.470 g/mol
SMILES C(C(C)(C)C)(OC[C@@]([C@@]([C@](CO)(COCOCC=1C=CC=CC1)[H])(O)[H])(C)[H])=O