Spektraris NMR
Tricalysioside Q
Common Name: Tricalysioside Q
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H42O11/c1-23(22(33)34)7-6-16(37-20-19(31)18(30)17(29)13(10-27)36-20)24(2)14(23)5-8-25-9-12(3-4-15(24)25)26(35,11-28)21(25)32/h12-21,27-32,35H,3-11H2,1-2H3,(H,33,34)/t12-,13-,14-,15+,16+,17-,18+,19-,20+,21-,23-,24-,25-,26+/m1/s1
InChIKey: InChIKey=LEKTUMKPHTXIPV-XXMOTXERSA-N
Formula: C26H42O11
Molecular Weight: 530.606099
Exact Mass: 530.272712
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 (CH) | 92.5 |
| 2 (CH2) | 28.4 |
| 3 (CH2) | 36.6 |
| 4 (C) | 43.6 |
| 5 (CH) | 56 |
| 6 (CH2) | 21.9 |
| 7 (CH2) | 37.6 |
| 8 (C) | 49.1 |
| 9 (CH) | 54.8 |
| 10 (C) | 45.9 |
| 11 (CH2) | 21.4 |
| 12 (CH2) | 26.9 |
| 13 (CH) | 43.3 |
| 14 (CH2) | 37.4 |
| 15 (CH) | 82.3 |
| 16 (C) | 81.9 |
| 17 (CH2) | 66.1 |
| 18 (CH3) | 29.3 |
| 19 (C) | 180.1 |
| 20 (CH3) | 13 |
| 1' (CH) | 104.5 |
| 2' (CH) | 75.7 |
| 3' (CH) | 78.9 |
| 4' (CH) | 71.7 |
| 5' (CH) | 78.3 |
| 6' (CH2) | 62.8 |
