Sulfuric acid [(S)-1-methyl-3-(4-hydroxyphenyl)propyl] ester

Sulfuric acid [(S)-1-methyl-3-(4-hydroxyphenyl)propyl] ester

Common Name: Sulfuric acid [(S)-1-methyl-3-(4-hydroxyphenyl)propyl] ester

Synonyms: Sulfuric acid [(S)-1-methyl-3-(4-hydroxyphenyl)propyl] ester

CAS Registry Number:

InChI: InChI=1S/C10H14O5S/c1-8(15-16(12,13)14)2-3-9-4-6-10(11)7-5-9/h4-8,11H,2-3H2,1H3,(H,12,13,14)/t8-/m0/s1

InChIKey: InChIKey=OQFZVKBWUAAYAV-QMMMGPOBSA-N

Formula: C10H14O5S1

Molecular Weight: 246.281639

Exact Mass: 246.056194

NMR Solvent: CD3OD

MHz:

Calibration:

NMR references: 13C - Shikishima Y., Takaishi Y., Honda G., Ito M., Takeda Y., Kodzhimatov O.K., Ashurmetov O. Phytochemistry (2001) 56, 377-81

Species:

Notes: Family : Aromatics, Type : Phenyl-alkanoids, Group : Phenylbutanoids; 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 (CH3) 20.5
2 (CH) 77.2
3 (CH2) 40.8
4 (CH2) 32.1
5 (C) 134.7
6 (CH) 130.7
7 (CH) 116.5
8 (C) 156.7
9 (CH) 116.5
10 (CH) 130.7