Spektraris NMR
CHEMBL518838
Common Name: CHEMBL518838
Synonyms: CHEMBL518838
CAS Registry Number:
InChI: InChI=1S/C24H34O5/c1-15(2)10-13-22(28-18(5)25)21-14-27-24(29-19(6)26)23-17(4)9-7-8-16(3)11-12-20(21)23/h8,10,14,20,22-24H,4,7,9,11-13H2,1-3,5-6H3/b16-8+/t20-,22?,23+,24-/m1/s1
InChIKey: InChIKey=TVJNNVZCBNICJU-FCLVLSKGSA-N
Formula: C24H34O5
Molecular Weight: 402.524672
Exact Mass: 402.240624
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hooper, G.J., Davies-Coleman, M.T., Schleyer, M. J Nat Prod (1997) 60, 889-93
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Xenicanes; 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 (C) | 151.1 |
| 2 (CH) | 49.5 |
| 3 (CH) | 37.8 |
| 4 (CH2) | 30 |
| 5 (CH2) | 40.2 |
| 6 (C) | 135.6 |
| 7 (CH) | 124.4 |
| 8 (CH2) | 25.2 |
| 9 (CH2) | 35.5 |
| 10 (C) | 116.9 |
| 11 (CH) | 72.2 |
| 12 (CH2) | 33.4 |
| 13 (CH) | 118.8 |
| 14 (C) | 134.5 |
| 15 (CH3) | 18 |
| 16 (CH3) | 25.8 |
| 17 (CH) | 136.5 |
| 18 (CH) | 92 |
| 19 (CH2) | 113.2 |
| 20 (CH3) | 16.7 |
| 11a (C) | 169.7 |
| 11b (CH3) | 21.2 |
| 18a (C) | 170 |
| 18b (CH3) | 21 |
