Spektraris NMR
Tanabalin
Common Name: Tanabalin
Synonyms: Tanabalin
CAS Registry Number:
InChI: InChI=1S/C22H28O5/c1-14-7-9-22-13-26-20(24)17(22)5-4-6-19(22)21(14,3)11-18(27-15(2)23)16-8-10-25-12-16/h5,8,10,12,14,18-19H,4,6-7,9,11,13H2,1-3H3/t14-,18+,19-,21+,22-/m1/s1
InChIKey: InChIKey=DZAYTXGDCMMRGZ-MHMMHEKKSA-N
Formula: C22H28O5
Molecular Weight: 372.455555
Exact Mass: 372.193674
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lima, M.A.S., Silveira, E.R., Marques, M.S.L., Santos, R.H.A., Gambardela, M.T.P. Phytochemistry (1996) 41, 217-23
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) | 20.2 |
| 2 (CH2) | 27.5 |
| 3 (CH) | 140 |
| 4 (C) | 135.6 |
| 5 (C) | 45.6 |
| 6 (CH2) | 34.2 |
| 7 (CH2) | 27.7 |
| 8 (CH) | 37.1 |
| 9 (C) | 39.4 |
| 10 (CH) | 49 |
| 11 (CH2) | 41.9 |
| 12 (CH) | 64.8 |
| 13 (C) | 126.2 |
| 14 (CH) | 108.6 |
| 15 (CH) | 143.3 |
| 16 (CH) | 138.5 |
| 17 (CH3) | 15.7 |
| 18 (C) | 169.1 |
| 19 (CH2) | 71.7 |
| 20 (CH3) | 17.5 |
| 12a (C) | 170 |
| 12b (CH3) | 21.5 |
