Spektraris NMR
16-Oxo-steviol methyl ester
Common Name: 16-Oxo-steviol methyl ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O4/c1-17-7-4-8-18(2,16(22)24-3)13(17)5-9-19-11-15(21)20(23,12-19)10-6-14(17)19/h13-14,23H,4-12H2,1-3H3/t13-,14-,17+,18+,19+,20-/m0/s1
InChIKey: InChIKey=AQRYMJDRMLBKMD-NQYOZRFVSA-N
Formula: C20H30O4
Molecular Weight: 334.45056
Exact Mass: 334.214409
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) | 40.6 |
| 2 (CH2) | 19.4 |
| 3 (CH2) | 37.2 |
| 4 (C) | 43.9 |
| 5 (CH) | 56.6 |
| 6 (CH2) | 21.2 |
| 7 (CH2) | 41.2 |
| 8 (C) | 39.5 |
| 9 (CH) | 53 |
| 10 (C) | 39.4 |
| 11 (CH2) | 20 |
| 12 (CH2) | 38.1 |
| 13 (C) | 80.3 |
| 14 (CH2) | 44.4 |
| 15 (CH2) | 53.3 |
| 16 (C) | 220.1 |
| 18 (CH3) | 28.6 |
| 19 (C) | 177.6 |
| 20 (CH3) | 15.9 |
| 19a (CH3) | 51.2 |
