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)
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 |