Spektraris NMR
3,16-seco-13-oxo-steviol methyl ester
Common Name: 3,16-seco-13-oxo-steviol methyl ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O5/c1-18-8-4-9-19(2,17(24)25-3)14(18)7-10-20(12-16(22)23)11-13(21)5-6-15(18)20/h14-15H,4-12H2,1-3H3,(H,22,23)/t14-,15-,18+,19+,20-/m0/s1
InChIKey: InChIKey=XWWDTCYXOJBPJC-OFDAHSHWSA-N
Formula: C20H30O5
Molecular Weight: 350.449965
Exact Mass: 350.209324
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) | 41.5 |
| 2 (CH2) | 19.6 |
| 3 (CH2) | 37.9 |
| 4 (C) | 43.8 |
| 5 (CH) | 56.4 |
| 6 (CH2) | 20.4 |
| 7 (CH2) | 39 |
| 8 (C) | 41.3 |
| 9 (CH) | 49.6 |
| 10 (C) | 39.5 |
| 11 (CH2) | 20.9 |
| 12 (CH2) | 47.2 |
| 13 (C) | 211.7 |
| 14 (CH2) | 48.5 |
| 15 (CH2) | 38.6 |
| 16 (C) | 173.9 |
| 18 (CH3) | 28.5 |
| 19 (C) | 177.7 |
| 20 (CH3) | 16.4 |
| 19a (CH3) | 51.2 |
