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Ethyl 6-[(2'R,5'S)-5'-((S)-5''-(Ethoxycarbonyl)-1''-hydroxy-pent-4''-enyl)-tetrahydrofuran-2'-yl]-6-oxo-hex-2-enoate
SpectraBase Compound ID HO0WDXomNcQ
InChI InChI=1S/C20H30O7/c1-3-25-19(23)11-7-5-9-15(21)17-13-14-18(27-17)16(22)10-6-8-12-20(24)26-4-2/h7-8,11-12,15,17-18,21H,3-6,9-10,13-14H2,1-2H3/b11-7+,12-8+/t15-,17-,18+/m0/s1
InChIKey ABGPXCZKNDSCAQ-WDHXZJJTSA-N
Mol Weight 382.45 g/mol
Molecular Formula C20H30O7
Exact Mass 382.199153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9bPn4xnyNbL
Name Ethyl 6-[(2'R,5'S)-5'-((S)-5''-(Ethoxycarbonyl)-1''-hydroxy-pent-4''-enyl)-tetrahydrofuran-2'-yl]-6-oxo-hex-2-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O7
InChI InChI=1S/C20H30O7/c1-3-25-19(23)11-7-5-9-15(21)17-13-14-18(27-17)16(22)10-6-8-12-20(24)26-4-2/h7-8,11-12,15,17-18,21H,3-6,9-10,13-14H2,1-2H3/b11-7+,12-8+/t15-,17-,18+/m0/s1
InChIKey ABGPXCZKNDSCAQ-WDHXZJJTSA-N
Molecular Weight 382.453 g/mol
SMILES O[C@]([C@]1(O[C@@](C(=O)CC\C=C\C(=O)OCC)(CC1)[H])[H])(CC\C=C\C(=O)OCC)[H]
SPLASH splash10-00c1-9530000000-ad3d49b07570793034ff
Source of Spectrum F5-5-1612-31-Ketol
Synonyms Ethyl 6-[5'-(5''-(Ethoxycarbonyl)1''-hydroxypent-4''-enyl)-tetrahydrofuran-2'-yl]-6-oxohex-2-enoate (E)-ethyl 6-((2R,5S)-5-((S,E)-6-ethoxy-1-hydroxy-6-oxohex-4-en-1-yl)tetrahydrofuran-2-yl)-6-oxohex-2-enoate (E,6S)-6-[(2S,5R)-5-[(E)-6-ethoxy-1,6-dioxohex-4-enyl]-2-oxolanyl]-6-hydroxy-2-hexenoic acid ethyl ester Ethyl (E,6S)-6-[(2S,5R)-5-[(E)-6-ethoxy-6-oxohex-4-enoyl]oxolan-2-yl]-6-hydroxyhex-2-enoate Ethyl (E,6S)-6-[(2S,5R)-5-[(E)-6-ethoxy-6-oxo-hex-4-enoyl]tetrahydrofuran-2-yl]-6-hydroxy-hex-2-enoate Ethyl (E,6S)-6-[(2S,5R)-5-[(E)-6-ethoxy-6-oxidanylidene-hex-4-enoyl]oxolan-2-yl]-6-oxidanyl-hex-2-enoate
Wiley ID 1733185