Spektraris NMR
Teucrasiatin
Common Name: Teucrasiatin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O7/c1-13-8-18(24)22(12-27-14(2)23)17(4-3-6-20(22)11-28-20)21(13)9-16(29-19(21)25)15-5-7-26-10-15/h5,7,10,13,16-17,19,25H,3-4,6,8-9,11-12H2,1-2H3/t13-,16+,17-,19+,20+,21-,22+/m1/s1
InChIKey: InChIKey=NUWZPFWRHBOHLZ-LKFGLWOWSA-N
Formula: C22H28O7
Molecular Weight: 404.454365
Exact Mass: 404.183503
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodriguez, B., delaTorre, M.C., Bruno, M., Piozzi, F., Vassallo, N., Ciriminna, R., Servettaz, O. Phytochemistry (1996) 43, 435-8
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) | 23.7 |
| 2 (CH2) | 24.9 |
| 3 (CH2) | 32.9 |
| 4 (C) | 60.9 |
| 5 (C) | 54.8 |
| 6 (C) | 206.9 |
| 7 (CH2) | 46.2 |
| 8 (CH) | 43.6 |
| 9 (C) | 53.5 |
| 10 (CH) | 53.8 |
| 11 (CH2) | 44.4 |
| 12 (CH) | 70.8 |
| 13 (C) | 124.9 |
| 14 (CH) | 108.7 |
| 15 (CH) | 143.5 |
| 16 (CH) | 139.4 |
| 17 (CH3) | 17.5 |
| 18 (CH2) | 49.9 |
| 19 (CH2) | 64.5 |
| 20 (CH) | 99.5 |
| 19a (C) | 171.2 |
| 19b (CH3) | 20.9 |
