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[1S*,4S*,7S*]-5-Acetyl-7-[benzyloxy]-3,3-dimethoxy-2-oxobicyclo[2,2,2]oct-5-ene-2-one
SpectraBase Compound ID BSynAJMQcC
InChI InChI=1S/C19H22O5/c1-12(20)14-9-15-17(24-11-13-7-5-4-6-8-13)10-16(14)19(22-2,23-3)18(15)21/h4-9,15-17H,10-11H2,1-3H3/t15-,16+,17-/m0/s1
InChIKey ZFSFZEMSPKPZBA-BBWFWOEESA-N
Mol Weight 330.38 g/mol
Molecular Formula C19H22O5
Exact Mass 330.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3R3d9AZKcA2
Name [1S*,4S*,7S*]-5-Acetyl-7-[benzyloxy]-3,3-dimethoxy-2-oxobicyclo[2,2,2]oct-5-ene-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22O5
InChI InChI=1S/C19H22O5/c1-12(20)14-9-15-17(24-11-13-7-5-4-6-8-13)10-16(14)19(22-2,23-3)18(15)21/h4-9,15-17H,10-11H2,1-3H3/t15-,16+,17-/m0/s1
InChIKey ZFSFZEMSPKPZBA-BBWFWOEESA-N
Molecular Weight 330.380 g/mol
SMILES C1([C@]2(C(C(=O)C)=C[C@](C1=O)([C@@](OCc1ccccc1)(C2)[H])[H])[H])(OC)OC
SPLASH splash10-0007-8901000000-169dde2d5c89890c6048
Source of Spectrum F-57-304-3
Synonyms (1S*,4S*,7S*)-5-Acetoxy-7-(benzyloxy)-3,3-dimethoxy-2-oxobicyclo[2.2.2]oct-5-en-2-one (1S,4S)-5-acetyl-7-(benzyloxy)-3,3-dimethoxybicyclo[2.2.2]oct-5-en-2-one
Wiley ID 1549218