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(1R,3R,4S,5S)-3-hydroxy-4-(4-methoxy-6-oxo-2-pyranyl)-3-phenacyl-7-oxabicyclo[3.2.1]octan-6-one

View entire compound with spectra: 1 MS (GC)

(1R,3R,4S,5S)-3-hydroxy-4-(4-methoxy-6-oxo-2-pyranyl)-3-phenacyl-7-oxabicyclo[3.2.1]octan-6-one
SpectraBase Compound ID 5cLwBaLIN3J
InChI InChI=1S/C21H20O7/c1-26-13-8-17(28-18(23)9-13)19-15-7-14(27-20(15)24)10-21(19,25)11-16(22)12-5-3-2-4-6-12/h2-6,8-9,14-15,19,25H,7,10-11H2,1H3/t14-,15+,19-,21-/m1/s1
InChIKey BRWQQGQVOVWUIT-OGZLKCIRSA-N
Mol Weight 384.38 g/mol
Molecular Formula C21H20O7
Exact Mass 384.120903 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gisz7uDfp6z
Name (1R,3R,4S,5S)-3-hydroxy-4-(4-methoxy-6-oxo-2-pyranyl)-3-phenacyl-7-oxabicyclo[3.2.1]octan-6-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20O7
InChI InChI=1S/C21H20O7/c1-26-13-8-17(28-18(23)9-13)19-15-7-14(27-20(15)24)10-21(19,25)11-16(22)12-5-3-2-4-6-12/h2-6,8-9,14-15,19,25H,7,10-11H2,1H3/t14-,15+,19-,21-/m1/s1
InChIKey BRWQQGQVOVWUIT-OGZLKCIRSA-N
Molecular Weight 384.384 g/mol
SMILES O[C@@]1([C@@](C2=CC(OC)=CC(O2)=O)([C@]2(C(O[C@](C2)(C1)[H])=O)[H])[H])CC(=O)c1ccccc1
SPLASH splash10-0a6r-5900000000-9a6bd66665810774fba5
Source of Spectrum F-52-8079-3
Synonyms (1R,3R,4S,5S)-3-hydroxy-4-(4-methoxy-6-oxo-pyran-2-yl)-3-phenacyl-7-oxabicyclo[3.2.1]octan-6-one (1R,3R,4S,5S)-3-hydroxy-4-(6-keto-4-methoxy-pyran-2-yl)-3-phenacyl-7-oxabicyclo[3.2.1]octan-6-one (1R,3R,4S,5S)-4-(4-methoxy-6-oxidanylidene-pyran-2-yl)-3-oxidanyl-3-phenacyl-7-oxabicyclo[3.2.1]octan-6-one
Wiley ID 796949