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(1'S,2R,5S,6R)-5-[1'-(Anthracen-9''-yl)-1'-(benzoyloxy)methyl]-2-(T-butyl)-6-methyl-1,3-dioxan-4-one

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(1'S,2R,5S,6R)-5-[1'-(Anthracen-9''-yl)-1'-(benzoyloxy)methyl]-2-(T-butyl)-6-methyl-1,3-dioxan-4-one
SpectraBase Compound ID 2WflX25GdwG
InChI InChI=1S/C31H30O5/c1-19-25(29(33)36-30(34-19)31(2,3)4)27(35-28(32)20-12-6-5-7-13-20)26-23-16-10-8-14-21(23)18-22-15-9-11-17-24(22)26/h5-19,25,27,30H,1-4H3/t19-,25+,27+,30-/m1/s1
InChIKey UFBCLOOLLXCODU-MRHDKWQNSA-N
Mol Weight 482.58 g/mol
Molecular Formula C31H30O5
Exact Mass 482.209324 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2yNf31Wpz9B
Name (1'S,2R,5S,6R)-5-[1'-(Anthracen-9''-yl)-1'-(benzoyloxy)methyl]-2-(T-butyl)-6-methyl-1,3-dioxan-4-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 482.209324061 u
Formula C31H30O5
InChI InChI=1S/C31H30O5/c1-19-25(29(33)36-30(34-19)31(2,3)4)27(35-28(32)20-12-6-5-7-13-20)26-23-16-10-8-14-21(23)18-22-15-9-11-17-24(22)26/h5-19,25,27,30H,1-4H3/t19-,25+,27+,30-/m1/s1
InChIKey UFBCLOOLLXCODU-MRHDKWQNSA-N
Molecular Weight 482.576 g/mol
SMILES C1([C@]([C@@](C=2C3=C(C=CC=C3)C=C3C2C=CC=C3)(OC(=O)C2=CC=CC=C2)[H])([C@@](C)(O[C@](O1)(C(C)(C)C)[H])[H])[H])=O