Spektraris NMR
Tonalenin
Common Name: Tonalenin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H24O7/c1-11(23)29-16-9-22-10-28-19(25)14(22)5-4-13-17-12(6-7-27-17)15(24)8-20(2,18(13)22)21(16,3)26/h5-7,13,16,18,26H,4,8-10H2,1-3H3/t13-,16+,18+,20+,21-,22+/m0/s1
InChIKey: InChIKey=ZIVGMHCTDQKKGG-XKDUXEEFSA-N
Formula: C22H24O7
Molecular Weight: 400.422602
Exact Mass: 400.152203
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Maldonado, E., Ortega, A. Phytochemistry (1997) 45, 1461-4
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Languidulanes; 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 (CH) | 38.1 |
| 2 (CH2) | 35.2 |
| 3 (CH) | 135.2 |
| 4 (C) | 138.7 |
| 5 (C) | 47.3 |
| 6 (CH2) | 33.2 |
| 7 (CH) | 76.4 |
| 8 (C) | 76.9 |
| 9 (C) | 42.6 |
| 10 (CH) | 49.4 |
| 11 (CH2) | 53.1 |
| 12 (C) | 196 |
| 13 (C) | 123.7 |
| 14 (CH) | 109.2 |
| 15 (CH) | 142.7 |
| 16 (C) | 159.6 |
| 17 (CH3) | 21.8 |
| 18 (C) | 168.5 |
| 19 (CH2) | 71.8 |
| 20 (CH3) | 15.9 |
| 7a (C) | 169.8 |
| 7b (CH3) | 21.9 |
