Spektraris NMR
Isosteviol
Common Name: Isosteviol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-17-9-5-14-18(2)7-4-8-19(3,16(22)23)13(18)6-10-20(14,12-17)11-15(17)21/h13-14H,4-12H2,1-3H3,(H,22,23)/t13-,14-,17-,18+,19+,20-/m0/s1
InChIKey: InChIKey=KFVUFODCZDRVSS-XGBBNYNSSA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - de Oliveira, B.H., dos Santos, M.C., Leal, P.C. Phytochemistry (1999) 51, 737-41
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Beyeranes; 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) | 40.7 |
| 2 (CH2) | 20.1 |
| 3 (CH2) | 38.5 |
| 4 (C) | 44.6 |
| 5 (CH) | 58.2 |
| 6 (CH2) | 22.9 |
| 7 (CH2) | 42.5 |
| 8 (C) | 48.2 |
| 9 (CH) | 55.9 |
| 10 (C) | 39.2 |
| 11 (CH2) | 21.4 |
| 12 (CH2) | 39.1 |
| 13 (C) | 41 |
| 14 (CH2) | 55.2 |
| 15 (CH2) | 49.8 |
| 16 (C) | 225.1 |
| 17 (CH3) | 20.2 |
| 18 (CH3) | 29.5 |
| 19 (C) | 181.5 |
| 20 (CH3) | 14 |
