Spektraris NMR
Teumassilenin B
Common Name: Teumassilenin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O5/c1-12-8-17(22)20-11-25-18(23)14(20)4-3-5-16(20)19(12,2)9-15(21)13-6-7-24-10-13/h6-7,10,12,14-18,21-23H,3-5,8-9,11H2,1-2H3/t12-,14+,15+,16-,17+,18-,19+,20+/m1/s1
InChIKey: InChIKey=TWSKOIUXIBVCDJ-SRVJNQFMSA-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) | 21.4 |
| 2 (CH2) | 23.3 |
| 3 (CH2) | 28.5 |
| 4 (CH) | 53.9 |
| 5 (C) | 50.6 |
| 6 (CH) | 77.9 |
| 7 (CH2) | 37 |
| 8 (CH) | 35.1 |
| 9 (C) | 39.4 |
| 10 (CH) | 44.3 |
| 11 (CH2) | 43.9 |
| 12 (CH) | 63 |
| 13 (C) | 130.8 |
| 14 (CH) | 108.3 |
| 15 (CH) | 143.6 |
| 16 (CH) | 138.4 |
| 17 (CH3) | 15.6 |
| 18 (CH) | 104.4 |
| 19 (CH2) | 68.3 |
| 20 (CH3) | 16.6 |
