Spektraris NMR
Teumassilenin C
Common Name: Teumassilenin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O5/c1-13-8-17(23)20-12-25-19(20,11-21)6-3-4-16(20)18(13,2)9-15(22)14-5-7-24-10-14/h5,7,10,13,15-17,21-23H,3-4,6,8-9,11-12H2,1-2H3/t13-,15+,16-,17+,18+,19+,20+/m1/s1
InChIKey: InChIKey=QTKUKPZFMJWCPE-XRSVKNQHSA-N
Formula: C20H30O5
Molecular Weight: 350.449965
Exact Mass: 350.209324
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) | 20.1 |
| 2 (CH2) | 17.3 |
| 3 (CH2) | 31.4 |
| 4 (C) | 91.3 |
| 5 (C) | 50.9 |
| 6 (CH) | 70.1 |
| 7 (CH2) | 36.2 |
| 8 (CH) | 34.4 |
| 9 (C) | 39.7 |
| 10 (CH) | 40.1 |
| 11 (CH2) | 43.2 |
| 12 (CH) | 63 |
| 13 (C) | 131 |
| 14 (CH) | 108.3 |
| 15 (CH) | 143.5 |
| 16 (CH) | 138.3 |
| 17 (CH3) | 15.6 |
| 18 (CH2) | 65.2 |
| 19 (CH2) | 70.2 |
| 20 (CH3) | 15.7 |
