Spektraris NMR
Tricalysiolide A
Common Name: Tricalysiolide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O4/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/h8,12,14-16,21,23H,2-7,9-11H2,1H3/t12-,14-,15-,16+,18-,19+,20+/m1/s1
InChIKey: InChIKey=GCGHKCGNVBKLKA-IZAYAAFUSA-N
Formula: C20H28O4
Molecular Weight: 332.434679
Exact Mass: 332.198759
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) | 35.8 |
| 2 (CH2) | 29.9 |
| 3 (CH) | 81.4 |
| 4 (C) | 175.1 |
| 5 (CH) | 48.7 |
| 6 (CH2) | 22 |
| 7 (CH2) | 40.2 |
| 8 (C) | 44.5 |
| 9 (CH) | 53.5 |
| 10 (C) | 42.9 |
| 11 (CH2) | 19.4 |
| 12 (CH2) | 26.3 |
| 13 (CH) | 45.8 |
| 14 (CH2) | 38 |
| 15 (CH2) | 53.8 |
| 16 (C) | 81.5 |
| 17 (CH2) | 66.4 |
| 18 (CH) | 111.4 |
| 19 (C) | 173.7 |
| 20 (CH3) | 14.7 |
