Spektraris NMR
Tricalysioside T
Common Name: Tricalysioside T
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H44O9/c1-23(13-34-21-20(31)19(30)18(29)15(11-27)35-21)7-3-8-24(2)16(23)6-9-25-10-14(4-5-17(24)25)26(33,12-28)22(25)32/h14-22,27-33H,3-13H2,1-2H3/t14-,15-,16-,17+,18-,19+,20-,21-,22-,23+,24-,25-,26+/m1/s1
InChIKey: InChIKey=IKBFZZPRIOQBPZ-JLGYURFFSA-N
Formula: C26H44O9
Molecular Weight: 500.623171
Exact Mass: 500.298533
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) | 40.7 |
| 2 (CH2) | 18.7 |
| 3 (CH2) | 36.2 |
| 4 (C) | 38.4 |
| 5 (CH) | 57.1 |
| 6 (CH2) | 20.4 |
| 7 (CH2) | 37.3 |
| 8 (C) | 48 |
| 9 (CH) | 56.4 |
| 10 (C) | 39.8 |
| 11 (CH2) | 18.9 |
| 12 (CH2) | 26.3 |
| 13 (CH) | 43.6 |
| 14 (CH2) | 36.8 |
| 15 (CH) | 82.7 |
| 16 (C) | 81.3 |
| 17 (CH2) | 66.2 |
| 18 (CH3) | 28.3 |
| 19 (CH2) | 73.2 |
| 20 (CH3) | 18.4 |
| 1' (CH) | 105.5 |
| 2' (CH) | 75.4 |
| 3' (CH) | 78.8 |
| 4' (CH) | 71.9 |
| 5' (CH) | 78.3 |
| 6' (CH2) | 63 |
