Spektraris NMR
Tricalysiol U
Common Name: Tricalysiol U
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H36O3/c1-14(10-13-21)6-7-16-19(4)11-9-17(22)18(2,3)15(19)8-12-20(16,5)23/h10,15-17,21-23H,6-9,11-13H2,1-5H3/b14-10+/t15-,16+,17-,19-,20-/m0/s1
InChIKey: InChIKey=WVESMYBOMXQMDN-INTWKXFUSA-N
Formula: C20H36O3
Molecular Weight: 324.4988
Exact Mass: 324.266445
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Otsuka, H., Shitamoto, J., He, D.H., Matsunami, K., Shinzato, T., Aramoto, M., Takeda, Y., Kanchanapoom, T. Chem Pharm Bull (2007) 55, 1600-5
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) | 38.6 |
| 2 (CH2) | 28.1 |
| 3 (CH) | 78.1 |
| 4 (C) | 39.5 |
| 5 (CH) | 55.8 |
| 6 (CH2) | 20.8 |
| 7 (CH2) | 45.2 |
| 8 (C) | 73.1 |
| 9 (CH) | 62 |
| 10 (C) | 39.3 |
| 11 (CH2) | 24.7 |
| 12 (CH2) | 43.8 |
| 13 (C) | 138.6 |
| 14 (CH) | 125.5 |
| 15 (CH2) | 59.1 |
| 16 (CH3) | 16.7 |
| 17 (CH3) | 24.6 |
| 18 (CH3) | 28.8 |
| 19 (CH3) | 16.3 |
| 20 (CH3) | 16 |
