2,6-Dimethyl-3-(([1'-phenylethyl]-amino)-carbonyloxy)-4-phenylthio-cyclohexane-1,2-diol 1,2-acetonide

SpectraBase Compound ID	EPuEL7Qp3nk
InChI	InChI=1S/C26H33NO4S/c1-17-16-21(32-20-14-10-7-11-15-20)23(26(5)22(17)30-25(3,4)31-26)29-24(28)27-18(2)19-12-8-6-9-13-19/h6-15,17-18,21-23H,16H2,1-5H3,(H,27,28)
InChIKey	JOXQTUNHPYGBPA-UHFFFAOYSA-N Google Search
Mol Weight	455.6 g/mol
Molecular Formula	C26H33NO4S
Exact Mass	455.21303 g/mol

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SpectraBase Spectrum ID	AdFkVFCpIeN
Name	2,6-Dimethyl-3-(([1'-phenylethyl]-amino)-carbonyloxy)-4-phenylthio-cyclohexane-1,2-diol 1,2-acetonide
CAS Registry Number	82769-85-5
Comments	CONFIGURATION 1'S,1S,2S,3R,4R,6S REASSIGNED (W.B.)
Copyright	Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula	C26H33NO4S
InChI	InChI=1S/C26H33NO4S/c1-17-16-21(32-20-14-10-7-11-15-20)23(26(5)22(17)30-25(3,4)31-26)29-24(28)27-18(2)19-12-8-6-9-13-19/h6-15,17-18,21-23H,16H2,1-5H3,(H,27,28)
InChIKey	JOXQTUNHPYGBPA-UHFFFAOYSA-N
Instrument Name	Varian XL-200
Literature Reference	S.G. Pyne, D.C. Spellmeyer, S.Chen, J. Am. Chem. Soc. 104, 5728 (1982).
NMR Standard	TMS
Origin	Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent	CDCl3