1-(1-Hydroxy-2-[4-tolyl-sulfonato]-ethyl)-2-(6-methylthio-methoxy)-(E)-1-heptenyl-4-(methoxyethoxy-methoxy)-cyclopentane

SpectraBase Compound ID	Hxqblnr4CmA
InChI	InChI=1S/C27H44O8S2/c1-21-10-12-25(13-11-21)37(29,30)35-18-27(28)26-17-24(33-19-32-15-14-31-3)16-23(26)9-7-5-6-8-22(2)34-20-36-4/h7,9-13,22-24,26-28H,5-6,8,14-20H2,1-4H3/b9-7+
InChIKey	HOJLJHBZVOOOKH-VQHVLOKHSA-N Google Search
Mol Weight	560.8 g/mol
Molecular Formula	C27H44O8S2
Exact Mass	560.247761 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	8u8tHGsWbP7
Name	1-(1-Hydroxy-2-[4-tolyl-sulfonato]-ethyl)-2-(6-methylthio-methoxy)-(E)-1-heptenyl-4-(methoxyethoxy-methoxy)-cyclopentane
Comments	1(R),2(S),4(S),1'(S),6'(S)-ISOMER REASSIGNED BY R.R.
Copyright	Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula	C27H44O8S2
InChI	InChI=1S/C27H44O8S2/c1-21-10-12-25(13-11-21)37(29,30)35-18-27(28)26-17-24(33-19-32-15-14-31-3)16-23(26)9-7-5-6-8-22(2)34-20-36-4/h7,9-13,22-24,26-28H,5-6,8,14-20H2,1-4H3/b9-7+
InChIKey	HOJLJHBZVOOOKH-VQHVLOKHSA-N
Literature Reference	B.M. Trost, J. Lynch, P. Renaut, J. Am. Chem. Soc. 108, 284 (1986).
NMR Standard	TMS
Origin	Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent	CDCl3