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(1'S,2R,5S,6R)-5-[.alpha.-(Benzoyloxy)benzyl]-2-(t-butyl)-6-methyl-1,3-dioxan-4-one
SpectraBase Compound ID A5qirEClt2t
InChI InChI=1S/C23H26O5/c1-15-18(21(25)28-22(26-15)23(2,3)4)19(16-11-7-5-8-12-16)27-20(24)17-13-9-6-10-14-17/h5-15,18-19,22H,1-4H3/t15-,18+,19?,22-/m1/s1
InChIKey DKHMPVVPEYLRLS-IXOLAJPXSA-N
Mol Weight 382.46 g/mol
Molecular Formula C23H26O5
Exact Mass 382.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ISThjSBsslT
Name (1'S,2R,5S,6R)-5-[.alpha.-(Benzoyloxy)benzyl]-2-(t-butyl)-6-methyl-1,3-dioxan-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H26O5
InChI InChI=1S/C23H26O5/c1-15-18(21(25)28-22(26-15)23(2,3)4)19(16-11-7-5-8-12-16)27-20(24)17-13-9-6-10-14-17/h5-15,18-19,22H,1-4H3/t15-,18+,19?,22-/m1/s1
InChIKey DKHMPVVPEYLRLS-IXOLAJPXSA-N
Molecular Weight 382.456 g/mol
SMILES C1([C@](C(OC(=O)c2ccccc2)c2ccccc2)([C@@](C)(O[C@](O1)(C(C)(C)C)[H])[H])[H])=O
SPLASH splash10-0a6r-6900000000-a34d86bfab801526d88a
Source of Spectrum H-76-470-7
Synonyms (1'R,2R,5S,6R)-5-[.alpha.-(Benzoyloxy)benzyl]-2-(t-butyl)-6-methyl-1,3-dioxan-4-one [(2R,4R,5S)-2-tert-butyl-4-methyl-6-oxo-1,3-dioxan-5-yl](phenyl)methyl benzoate
Wiley ID 1360697