Spektraris NMR
Tricalysione A
Common Name: Tricalysione A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H26O3/c1-16-6-5-14(20)8-12(16)4-7-17-9-13(2-3-15(16)17)18(21,10-17)11-19/h5-6,12-13,15,19,21H,2-4,7-11H2,1H3/t12-,13-,15+,16-,17+,18+/m1/s1
InChIKey: InChIKey=SDJMNNDDHQWWJH-UXCAXZQLSA-N
Formula: C18H26O3
Molecular Weight: 290.397921
Exact Mass: 290.188195
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Nishimura, K., Hitotsuyanagi, Y., Sakakura, K.I., Fujita, K., Tachihara, S., Fukaya, H., Aoyagi, Y., Hasuda, T., Kinoshita, T., Takeya, K. Tetrahedron (2007) 63, 4558-62
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Miscellanea; 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 (CH) | 161.1 |
| 2 (CH) | 126.6 |
| 3 (C) | 199.3 |
| 4 (CH2) | 41.3 |
| 5 (CH) | 45.8 |
| 6 (CH2) | 26.5 |
| 7 (CH2) | 40.9 |
| 8 (C) | 45.1 |
| 9 (CH) | 48.8 |
| 10 (C) | 41.2 |
| 11 (CH2) | 19 |
| 12 (CH2) | 26.3 |
| 13 (CH) | 45.8 |
| 14 (CH2) | 38.3 |
| 15 (CH2) | 53.6 |
| 16 (C) | 81.6 |
| 17 (CH2) | 66.4 |
| 20 (CH3) | 17.3 |
