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(3S,4R,6S)-Methyl 4,6,8-triethyl-3,6-dihydroxyhexadecanoate isomer
SpectraBase Compound ID 7OMf8fPlKI0
InChI InChI=1S/C23H44O4/c1-6-10-11-12-13-14-15-19(7-2)17-23(26,9-4)18-20(8-3)21(24)16-22(25)27-5/h17,20-21,24,26H,6-16,18H2,1-5H3/b19-17+/t20-,21+,23-/m1/s1
InChIKey ZPISFABUHZUJJV-IKQKYMMNSA-N
Mol Weight 384.6 g/mol
Molecular Formula C23H44O4
Exact Mass 384.32396 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F553wQiP1q2
Name (3S,4R,6S)-Methyl 4,6,8-triethyl-3,6-dihydroxyhexadecanoate isomer
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Formula C23H44O4
InChI InChI=1S/C23H44O4/c1-6-10-11-12-13-14-15-19(7-2)17-23(26,9-4)18-20(8-3)21(24)16-22(25)27-5/h17,20-21,24,26H,6-16,18H2,1-5H3/b19-17+/t20-,21+,23-/m1/s1
InChIKey ZPISFABUHZUJJV-IKQKYMMNSA-N
Molecular Weight 384.601 g/mol
SMILES O[C@@](C[C@]([C@](CC(=O)OC)(O)[H])(CC)[H])(\C=C/(CC)CCCCCCCC)CC
SPLASH splash10-01ri-0669000000-74b69f666bf92c37a60b
Source of Spectrum F-54-2047-6
Synonyms (3S,4R,6S)-Methyl 4,6,8-triethyl-3,6-dihydroxyhexadec-7-enoate isomer Methyl (3S,4R,6S,7E)-4,6,8-triethyl-3,6-dihydroxy-7-hexadecenoate Methyl 4,6,8-triethyl-3,6-dihydroxyhexadec-7-enoate isomer Methyl 4,6,8-triethyl-3,6-dihydroxyhexadecanoate isomer
Wiley ID 805999