Spektraris NMR
Ajugarin II
Common Name: Ajugarin II
Synonyms: Ajugarin II
CAS Registry Number:
InChI: InChI=1S/C22H32O6/c1-14-9-18(24)22(13-27-15(2)23)17(5-4-7-21(22)12-28-21)20(14,3)8-6-16-10-19(25)26-11-16/h10,14,17-18,24H,4-9,11-13H2,1-3H3/t14-,17-,18+,20+,21+,22+/m1/s1
InChIKey: InChIKey=QDGFAVMJPYRERF-FYHNCAPNSA-N
Formula: C22H32O6
Molecular Weight: 392.486723
Exact Mass: 392.219889
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Caballero, C., Castanera, P., Ortego, F., Fontana, G., Pierro, P., Savona, G., Rodriguez, B. Phytochemistry (2001) 58, 249-56
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 20.8 |
| 2 (CH2) | 25 |
| 3 (CH2) | 31.9 |
| 4 (C) | 66.8 |
| 5 (C) | 45.2 |
| 6 (CH) | 73.4 |
| 7 (CH2) | 34.7 |
| 8 (CH) | 33.9 |
| 9 (C) | 38.6 |
| 10 (CH) | 47.3 |
| 11 (CH2) | 34.8 |
| 12 (CH2) | 22.1 |
| 13 (C) | 169.9 |
| 14 (CH) | 115.4 |
| 15 (C) | 173.5 |
| 16 (CH2) | 72.9 |
| 17 (CH3) | 15.4 |
| 18 (CH2) | 48.7 |
| 19 (CH2) | 62 |
| 20 (CH3) | 17.6 |
| 19a (C) | 171 |
| 19b (CH3) | 21.1 |
