SpectraBase Spectrum ID |
E0y0PWErse3 |
Name |
Methyl [4(S)-[1.alpha.,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-/m0/s1 |
InChIKey |
XCLIDOMFVHCLRO-WCVJNQNKSA-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 |
splash10-0bvi-6905000000-f32fc327cbf2be314073 |
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 |
1396032 |