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2'-Hydroxy-1',2',2'-triphenylethyl (1'R,3S,5S)-3,5,6-trihydroxy-5,6-o-isopropylidenehexanoate

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2'-Hydroxy-1',2',2'-triphenylethyl (1'R,3S,5S)-3,5,6-trihydroxy-5,6-o-isopropylidenehexanoate
SpectraBase Compound ID 99laGdcNyuc
InChI InChI=1S/C29H32O6/c1-28(2)33-20-25(35-28)18-24(30)19-26(31)34-27(21-12-6-3-7-13-21)29(32,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,24-25,27,30,32H,18-20H2,1-2H3/t24-,25-,27+/m0/s1
InChIKey WEKUWGUJUGCXPX-OHSXHVKISA-N
Mol Weight 476.6 g/mol
Molecular Formula C29H32O6
Exact Mass 476.219889 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JEYjYmHAsqo
Name 2'-Hydroxy-1',2',2'-triphenylethyl (1'R,3S,5S)-3,5,6-trihydroxy-5,6-o-isopropylidenehexanoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 476.219888744 u
Formula C29H32O6
InChI InChI=1S/C29H32O6/c1-28(2)33-20-25(35-28)18-24(30)19-26(31)34-27(21-12-6-3-7-13-21)29(32,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,24-25,27,30,32H,18-20H2,1-2H3/t24-,25-,27+/m0/s1
InChIKey WEKUWGUJUGCXPX-OHSXHVKISA-N
Molecular Weight 476.569 g/mol
SMILES [C@](C(C=1C=CC=CC1)(C1=CC=CC=C1)O)(OC(C[C@](C[C@@]1(OC(C)(C)OC1)[H])(O)[H])=O)(C1=CC=CC=C1)[H]