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(5S,6R,8R,9R)-5-Benzyloxy-8,9-trans-dimethyl-4,7,10-trioxabicyclo[4.4.0]decane-2-one

View entire compound with spectra: 1 MS (GC)

(5S,6R,8R,9R)-5-Benzyloxy-8,9-trans-dimethyl-4,7,10-trioxabicyclo[4.4.0]decane-2-one
SpectraBase Compound ID q90zoPLtwv
InChI InChI=1S/C16H20O5/c1-10-11(2)21-15-14(20-10)13(17)9-19-16(15)18-8-12-6-4-3-5-7-12/h3-7,10-11,14-16H,8-9H2,1-2H3/t10-,11-,14?,15?,16+/m1/s1
InChIKey BQXKENONKBTXLG-DMGKYOGESA-N
Mol Weight 292.33 g/mol
Molecular Formula C16H20O5
Exact Mass 292.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KvW4WHB42Q7
Name (5S,6R,8R,9R)-5-Benzyloxy-8,9-trans-dimethyl-4,7,10-trioxabicyclo[4.4.0]decane-2-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O5
InChI InChI=1S/C16H20O5/c1-10-11(2)21-15-14(20-10)13(17)9-19-16(15)18-8-12-6-4-3-5-7-12/h3-7,10-11,14-16H,8-9H2,1-2H3/t10-,11-,14?,15?,16+/m1/s1
InChIKey BQXKENONKBTXLG-DMGKYOGESA-N
Molecular Weight 292.331 g/mol
SMILES C12C(O[C@@]([C@](O2)(C)[H])(C)[H])C(=O)CO[C@@]1(OCc1ccccc1)[H]
SPLASH splash10-0006-0090000000-a19af827ef4e674c3e6b
Source of Spectrum F-62-6625-14
Synonyms (2R,3R,5S)-5-(benzyloxy)-2,3-dimethyl-hexahydro-2H-pyrano[3,4-b][1,4]dioxin-8-one 5-Benzyloxy-8,9-trans-dimethyl-4,7,10-trioxabicyclo[4.4.0]decane-2-one
Wiley ID 1634052