Methyl [4(R)-[1.beta.,4.beta.,4(Z)]]-4-Hydroxy-4-[1-[(2-methoxy-2-oxoethyl)thio]-2-hexadecenyl]cyclohexanecarboxylate

SpectraBase Compound ID	5I5BRbdNqbP
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+/m1/s1
InChIKey	XCLIDOMFVHCLRO-CVTJFFPFSA-N Google Search
Mol Weight	484.7 g/mol
Molecular Formula	C27H48O5S
Exact Mass	484.322246 g/mol

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SpectraBase Spectrum ID	JdMaRtjuTX4
Name	Methyl [4(R)-[1.beta.,4.beta.,4(Z)]]-4-Hydroxy-4-[1-[(2-methoxy-2-oxoethyl)thio]-2-hexadecenyl]cyclohexanecarboxylate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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+/m1/s1
InChIKey	XCLIDOMFVHCLRO-CVTJFFPFSA-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	splash10-08fr-0609100000-4594d1490c906effa820
Source of Spectrum	J-56-1762-12
Synonyms	Methyl 4-hydroxy-4-{(1R,2E)-1-[(2-methoxy-2-oxoethyl)sulfanyl]-2-hexadecenyl}cyclohexanecarboxylate
Wiley ID	1396029