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Methyl [4(S)-[1.beta.,4.beta.,4(Z)]]-4-Hydroxy-4-[1-[(2-methoxy-2-oxoethyl)thio]-2-hexadecenyl]cyclohexanecarboxylate
SpectraBase Compound ID Fhg5dphKSgl
InChI InChI=1S/C27H48O5S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(33-22-25(28)31-2)27(30)20-18-23(19-21-27)26(29)32-3/h16-17,23-24,30H,4-15,18-22H2,1-3H3/b17-16+/t23-,24-,27+/m0/s1
InChIKey XCLIDOMFVHCLRO-GKHNBGDTSA-N
Mol Weight 484.7 g/mol
Molecular Formula C27H48O5S
Exact Mass 484.322246 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2P4RGGfObfD
Name Methyl [4(S)-[1.beta.,4.beta.,4(Z)]]-4-Hydroxy-4-[1-[(2-methoxy-2-oxoethyl)thio]-2-hexadecenyl]cyclohexanecarboxylate
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Formula C27H48O5S
InChI InChI=1S/C27H48O5S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(33-22-25(28)31-2)27(30)20-18-23(19-21-27)26(29)32-3/h16-17,23-24,30H,4-15,18-22H2,1-3H3/b17-16+/t23-,24-,27+/m0/s1
InChIKey XCLIDOMFVHCLRO-GKHNBGDTSA-N
Molecular Weight 484.736 g/mol
SMILES O[C@]1([C@@](SCC(=O)OC)(\C=C\CCCCCCCCCCCCC)[H])CC[C@](C(=O)OC)(CC1)[H]
SPLASH splash10-0a4i-0904400000-6558dbe94b62d61eab46
Source of Spectrum J-56-1762-12
Synonyms Methyl 4-hydroxy-4-{(1S,2E)-1-[(2-methoxy-2-oxoethyl)sulfanyl]-2-hexadecenyl}cyclohexanecarboxylate
Wiley ID 1396030