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Ethyl 6-[(2'S,5'R)-5'-(1''-hydroxy-1''-methylethyl)-2'-methyl-tetrahydrofuran-2'-yl]-3-methyl-6-oxo-hex-2-enoate
SpectraBase Compound ID 7emlKlQq0md
InChI InChI=1S/C17H28O5/c1-6-21-15(19)11-12(2)7-8-13(18)17(5)10-9-14(22-17)16(3,4)20/h11,14,20H,6-10H2,1-5H3/b12-11+/t14-,17+/m1/s1
InChIKey HVOHNAGWZGJSAT-JWMKMDFTSA-N
Mol Weight 312.41 g/mol
Molecular Formula C17H28O5
Exact Mass 312.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fk47BwmCEFd
Name Ethyl 6-[(2'S,5'R)-5'-(1''-hydroxy-1''-methylethyl)-2'-methyl-tetrahydrofuran-2'-yl]-3-methyl-6-oxo-hex-2-enoate
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Formula C17H28O5
InChI InChI=1S/C17H28O5/c1-6-21-15(19)11-12(2)7-8-13(18)17(5)10-9-14(22-17)16(3,4)20/h11,14,20H,6-10H2,1-5H3/b12-11+/t14-,17+/m1/s1
InChIKey HVOHNAGWZGJSAT-JWMKMDFTSA-N
Molecular Weight 312.406 g/mol
SMILES OC([C@@]1(O[C@](C(=O)CC\C(=C\C(=O)OCC)C)(CC1)C)[H])(C)C
SPLASH splash10-0006-3900000000-5109324f45029a94ea1b
Source of Spectrum F5-5-1610-9-Ketol
Synonyms Ethyl 6-[5'-(1''-hydroxy-1''-methylethyl)-2'-methyl-tetrahydrofuran-2'-yl]-3-methyl-6-oxohex-2-enoate (E)-ethyl 6-((2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyltetrahydrofuran-2-yl)-3-methyl-6-oxohex-2-enoate
Wiley ID 1733192