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(1R)-2,6-Dimethyl-3-([1'-phenyl-ethyl]aminocarbonyloxy)-4-phenyl-sulfonyl-cyclohexane-1,2-diol 1,2-acetonide
SpectraBase Compound ID Jxkyi3yjErZ
InChI InChI=1S/C26H33NO6S/c1-17-16-21(34(29,30)20-14-10-7-11-15-20)23(26(5)22(17)32-25(3,4)33-26)31-24(28)27-18(2)19-12-8-6-9-13-19/h6-15,17-18,21-23H,16H2,1-5H3,(H,27,28)
InChIKey FGVRZJLFCPOKGY-UHFFFAOYSA-N
Mol Weight 487.6 g/mol
Molecular Formula C26H33NO6S
Exact Mass 487.202859 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AguKRStTvOV
Name (1R)-2,6-Dimethyl-3-([1'-phenyl-ethyl]aminocarbonyloxy)-4-phenyl-sulfonyl-cyclohexane-1,2-diol 1,2-acetonide
CAS Registry Number 82769-86-6
Comments OTHER CONFIGURATIONS 1'S,2R,3S,4S,6R
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C26H33NO6S
InChI InChI=1S/C26H33NO6S/c1-17-16-21(34(29,30)20-14-10-7-11-15-20)23(26(5)22(17)32-25(3,4)33-26)31-24(28)27-18(2)19-12-8-6-9-13-19/h6-15,17-18,21-23H,16H2,1-5H3,(H,27,28)
InChIKey FGVRZJLFCPOKGY-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