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Ethyl 4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(3-phenylprop-2-(E)-enyl)tetrahydropyran-2-yl]-3-methylbut-2(E)-enoate
SpectraBase Compound ID 5ElafutPJCC
InChI InChI=1S/C21H28O5/c1-3-25-19(22)13-15(2)12-18-21(24)20(23)17(14-26-18)11-7-10-16-8-5-4-6-9-16/h4-10,13,17-18,20-21,23-24H,3,11-12,14H2,1-2H3/b10-7+,15-13+/t17-,18-,20+,21-/m0/s1
InChIKey SNLAYVXRTIBGGH-FWDGTQPSSA-N
Mol Weight 360.45 g/mol
Molecular Formula C21H28O5
Exact Mass 360.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID sxoKgQN4Ut
Name Ethyl 4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(3-phenylprop-2-(E)-enyl)tetrahydropyran-2-yl]-3-methylbut-2(E)-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O5
InChI InChI=1S/C21H28O5/c1-3-25-19(22)13-15(2)12-18-21(24)20(23)17(14-26-18)11-7-10-16-8-5-4-6-9-16/h4-10,13,17-18,20-21,23-24H,3,11-12,14H2,1-2H3/b10-7+,15-13+/t17-,18-,20+,21-/m0/s1
InChIKey SNLAYVXRTIBGGH-FWDGTQPSSA-N
Molecular Weight 360.450 g/mol
SMILES O[C@@]1([C@](CO[C@]([C@@]1(O)[H])(C\C(=C\C(=O)OCC)C)[H])(C\C=C\c1ccccc1)[H])[H]
SPLASH splash10-0159-0950000000-0d7e8820bdb29ab54074
Source of Spectrum F-50-10744-9
Synonyms Ethyl (2E)-5,9-anhydro-2,3,4,8-tetradeoxy-3-methyl-8-[(2E)-3-phenyl-2-propenyl]-L-talo-non-2-enonate
Wiley ID 789421