Spektraris NMR
Steviol methyl ester
Common Name: Steviol methyl ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H32O3/c1-14-12-20-10-6-15-18(2,16(20)7-11-21(14,23)13-20)8-5-9-19(15,3)17(22)24-4/h15-16,23H,1,5-13H2,2-4H3/t15-,16-,18+,19+,20+,21-/m0/s1
InChIKey: InChIKey=DMURITDIRWHQPY-IQBUSDBGSA-N
Formula: C21H32O3
Molecular Weight: 332.477773
Exact Mass: 332.235145
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Terai, T., Ren, H., Mori, G., Yamaguchi, Y., Hayashi, T. Chem Pharm Bull (2002) 50, 1007-10
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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 (CH2) | 41.7 |
| 2 (CH2) | 19.5 |
| 3 (CH2) | 38.3 |
| 4 (C) | 43.9 |
| 5 (CH) | 56.9 |
| 6 (CH2) | 22.4 |
| 7 (CH2) | 41.7 |
| 8 (C) | 41.7 |
| 9 (CH) | 54.1 |
| 10 (C) | 39.5 |
| 11 (CH2) | 20.8 |
| 12 (CH2) | 40.7 |
| 13 (C) | 79.8 |
| 14 (CH2) | 48.1 |
| 15 (CH2) | 47.4 |
| 16 (C) | 157.6 |
| 17 (CH2) | 103.7 |
| 18 (CH3) | 28.7 |
| 19 (C) | 177.7 |
| 20 (CH3) | 15.2 |
| 19a (CH3) | 51.5 |
