N-Acetyl-S-[(1S)-2-(1-hydroxy-1-methylethyl)-2-cyclohexene-1alpha-yl]-L-cysteine ethyl ester

N-Acetyl-S-[(1S)-2-(1-hydroxy-1-methylethyl)-2-cyclohexene-1alpha-yl]-L-cysteine ethyl ester

Common Name: N-Acetyl-S-[(1S)-2-(1-hydroxy-1-methylethyl)-2-cyclohexene-1alpha-yl]-L-cysteine ethyl ester

Synonyms: N-Acetyl-S-[(1S)-2-(1-hydroxy-1-methylethyl)-2-cyclohexene-1alpha-yl]-L-cysteine ethyl ester

CAS Registry Number:

InChI: InChI=1S/C16H27NO4S/c1-5-21-15(19)13(17-11(2)18)10-22-14-9-7-6-8-12(14)16(3,4)20/h8,13-14,20H,5-7,9-10H2,1-4H3,(H,17,18)/t13-,14-/m0/s1

InChIKey: InChIKey=WUCDYOIFLGZQPA-KBPBESRZSA-N

Formula: C16H27N1O4S1

Molecular Weight: 329.456622

Exact Mass: 329.166079

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Gimenez-Arnau, E., Haberkom, L., Grossi, L., Lepoittevin, J.P. Tetrahedron (2008) 64, 5680-91

Species:

Notes: Family : Aliphatics, Type : Cycloalkanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)

Carbon NMR Peaks

Position PPM
1 (CH) 41.2
2 (C) 139.6
3 (CH) 123.4
4 (CH2) 27.2
5 (CH2) 20.8
6 (CH2) 25.7
1a (CH2) 33.7
1b (CH) 51.7
1c (C) 170.9
1d (CH2) 61.6
1e (CH3) 14.11
1ac (C) 170
1ad (CH3) 22.9
2a (C) 75.1
2b (CH3) 29.6
2c (CH3) 29.6