Spektraris NMR
Tricalysioside M
Common Name: Tricalysioside M
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H44O10/c1-23-7-6-17(29)24(2,12-35-21-20(32)19(31)18(30)14(10-27)36-21)15(23)5-8-25-9-13(3-4-16(23)25)26(34,11-28)22(25)33/h13-22,27-34H,3-12H2,1-2H3/t13-,14-,15+,16+,17-,18-,19+,20-,21-,22-,23-,24+,25-,26+/m1/s1
InChIKey: InChIKey=PQVBFMCAULEIGX-WKKNDZIMSA-N
Formula: C26H44O10
Molecular Weight: 516.622576
Exact Mass: 516.293448
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - He, D.H., Matsunami, K., Otsuka, H., Shinzato, T., Aramoto, M., Bando, M., Takeda, Y. Phytochemistry (2005) 66, 2857-64
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 |
| 2 (CH2) | 28.6 |
| 3 (CH) | 79.4 |
| 4 (C) | 43.3 |
| 5 (CH) | 56.4 |
| 6 (CH2) | 21.2 |
| 7 (CH2) | 39.5 |
| 8 (C) | 48 |
| 9 (CH) | 56.3 |
| 10 (C) | 39.6 |
| 11 (CH2) | 19.1 |
| 12 (CH2) | 26.3 |
| 13 (CH) | 43.6 |
| 14 (CH2) | 37.5 |
| 15 (CH) | 82.7 |
| 16 (C) | 81.3 |
| 17 (CH2) | 66.3 |
| 18 (CH3) | 24.5 |
| 19 (CH2) | 72.6 |
| 20 (CH3) | 17.9 |
| 1' (CH) | 105.5 |
| 2' (CH) | 74.9 |
| 3' (CH) | 78.9 |
| 4' (CH) | 71.8 |
| 5' (CH) | 78.6 |
| 6' (CH2) | 62.8 |
