Spektraris NMR
Tricalysiolide E
Common Name: Tricalysiolide E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O4/c1-18-6-5-15-13(8-17(22)24-15)14(18)4-7-19-9-12(2-3-16(18)19)20(23,10-19)11-21/h5,8,12,14,16,21,23H,2-4,6-7,9-11H2,1H3/t12-,14-,16+,18-,19+,20+/m1/s1
InChIKey: InChIKey=OXZIAVDNDXSZFB-WOBOPYLOSA-N
Formula: C20H26O4
Molecular Weight: 330.418797
Exact Mass: 330.183109
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Nishimura, K., Hitotsuyanagi, Y., Sugeta, N., Sakakura, K., Fujita, K., Fukaya, H., Aoyagi, Y., Hasuda, T., Kinoshita, T., He, D.H., Otsuka, H., Takeda, Y., Takeya, K. Tetrahedron (2006) 62, 1512-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) | 39.6 |
| 2 (CH) | 107.4 |
| 3 (C) | 149.7 |
| 4 (C) | 159.9 |
| 5 (CH) | 45.5 |
| 6 (CH2) | 21.8 |
| 7 (CH2) | 39.9 |
| 8 (C) | 44.3 |
| 9 (CH) | 52.8 |
| 10 (C) | 41.9 |
| 11 (CH2) | 18.8 |
| 12 (CH2) | 26.3 |
| 13 (CH) | 45.9 |
| 14 (CH2) | 37.6 |
| 15 (CH2) | 53.5 |
| 16 (C) | 81.5 |
| 17 (CH2) | 66.3 |
| 18 (CH) | 110.5 |
| 19 (C) | 170.6 |
| 20 (CH3) | 15.3 |
