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Ethyl 4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(5-hydroxypent-2-(E)-enyl)tetrahydropyran-2-yl]-3-methylbut-2(E)-enoate
SpectraBase Compound ID GunQAwIiKtI
InChI InChI=1S/C17H28O6/c1-3-22-15(19)10-12(2)9-14-17(21)16(20)13(11-23-14)7-5-4-6-8-18/h4-5,10,13-14,16-18,20-21H,3,6-9,11H2,1-2H3/b5-4+,12-10+/t13-,14-,16+,17-/m0/s1
InChIKey JNMIYDDFZLNXBF-DUGCWTLCSA-N
Mol Weight 328.4 g/mol
Molecular Formula C17H28O6
Exact Mass 328.188589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hr2CD1iGbhF
Name Ethyl 4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(5-hydroxypent-2-(E)-enyl)tetrahydropyran-2-yl]-3-methylbut-2(E)-enoate
Comments Less than 3 mono-isotopic peaks
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Formula C17H28O6
InChI InChI=1S/C17H28O6/c1-3-22-15(19)10-12(2)9-14-17(21)16(20)13(11-23-14)7-5-4-6-8-18/h4-5,10,13-14,16-18,20-21H,3,6-9,11H2,1-2H3/b5-4+,12-10+/t13-,14-,16+,17-/m0/s1
InChIKey JNMIYDDFZLNXBF-DUGCWTLCSA-N
Molecular Weight 328.405 g/mol
SMILES O[C@@]1([C@](CO[C@]([C@@]1(O)[H])(C\C(=C\C(=O)OCC)C)[H])(C\C=C\CCO)[H])[H]
SPLASH splash10-0002-9000000000-775a738c74e613bdcdf9
Source of Spectrum F-50-10745-9c
Wiley ID 789419