Spektraris NMR
Tricalysiolide B
Common Name: Tricalysiolide B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O5/c1-17-6-7-20(24)14(8-16(22)25-20)13(17)4-5-18-9-12(2-3-15(17)18)19(23,10-18)11-21/h8,12-13,15,21,23-24H,2-7,9-11H2,1H3/t12-,13-,15+,17-,18+,19+,20-/m1/s1
InChIKey: InChIKey=RMWYNGTXQIWPHK-BIVJBNGQSA-N
Formula: C20H28O5
Molecular Weight: 348.434084
Exact Mass: 348.193674
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) | 36.1 |
| 2 (CH2) | 35 |
| 3 (C) | 105.7 |
| 4 (C) | 173.7 |
| 5 (CH) | 47.4 |
| 6 (CH2) | 22.1 |
| 7 (CH2) | 40.3 |
| 8 (C) | 44.6 |
| 9 (CH) | 53.7 |
| 10 (C) | 43.8 |
| 11 (CH2) | 19.5 |
| 12 (CH2) | 26.4 |
| 13 (CH) | 45.9 |
| 14 (CH2) | 38.1 |
| 15 (CH2) | 53.8 |
| 16 (C) | 81.5 |
| 17 (CH2) | 66.4 |
| 18 (CH) | 112.6 |
| 19 (C) | 171.5 |
| 20 (CH3) | 14.4 |
