Spektraris NMR
Teumassin
Common Name: Teumassin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H26O8/c1-12-5-18(25)22(11-28-13(2)23)17(6-15(24)7-20(22)10-29-20)21(12)8-16(30-19(21)26)14-3-4-27-9-14/h3-4,9,12,15-17,24H,5-8,10-11H2,1-2H3/t12-,15+,16+,17-,20+,21-,22+/m1/s1
InChIKey: InChIKey=PPVSMIDZHQQZSB-SHBWHFDQSA-N
Formula: C22H26O8
Molecular Weight: 418.437889
Exact Mass: 418.162768
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Fontana, G., Paternostro, M.P., Savona, G., Rodriguez, B., de la Torre, M.C. J Nat Prod (1998) 61, 1242-7
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) | 30.8 |
| 2 (CH) | 65.3 |
| 3 (CH2) | 40.5 |
| 4 (C) | 58 |
| 5 (C) | 53.9 |
| 6 (C) | 206.5 |
| 7 (CH2) | 43.6 |
| 8 (CH) | 41.3 |
| 9 (C) | 51.2 |
| 10 (CH) | 47.9 |
| 11 (CH2) | 43 |
| 12 (CH) | 72.1 |
| 13 (C) | 124.8 |
| 14 (CH) | 107.9 |
| 15 (CH) | 144.4 |
| 16 (CH) | 139.5 |
| 17 (CH3) | 17.1 |
| 18 (CH2) | 49.3 |
| 19 (CH2) | 61.3 |
| 20 (C) | 177 |
| 19a (C) | 170.9 |
| 19b (CH3) | 20.9 |
