Spektraris NMR
Tricalysioside R
Common Name: Tricalysioside R
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H46O10/c1-14(30)37-24-27-10-7-17-25(2,3)19(31)8-9-26(17,4)18(27)6-5-15(11-27)28(24,35)13-36-23-22(34)21(33)20(32)16(12-29)38-23/h15-24,29,31-35H,5-13H2,1-4H3/t15-,16-,17-,18+,19-,20-,21+,22-,23-,24-,26-,27-,28+/m1/s1
InChIKey: InChIKey=KWPDXYPLYBUWEY-DTDRKAKYSA-N
Formula: C28H46O10
Molecular Weight: 542.659929
Exact Mass: 542.309098
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) | 36.1 |
| 2 (CH2) | 28.1 |
| 3 (CH) | 78 |
| 4 (C) | 39.4 |
| 5 (CH) | 55.1 |
| 6 (CH2) | 19.7 |
| 7 (CH2) | 39.6 |
| 8 (C) | 47.5 |
| 9 (CH) | 55.6 |
| 10 (C) | 38.9 |
| 11 (CH2) | 18.8 |
| 12 (CH2) | 26 |
| 13 (CH) | 44.8 |
| 14 (CH2) | 36.7 |
| 15 (CH) | 84 |
| 16 (C) | 81.2 |
| 17 (CH2) | 75.5 |
| 18 (CH3) | 28.8 |
| 19 (CH3) | 16.4 |
| 20 (CH3) | 18 |
| 1' (CH) | 105.9 |
| 2' (CH) | 75.2 |
| 3' (CH) | 78.6 |
| 4' (CH) | 71.7 |
| 5' (CH) | 78.3 |
| 6' (CH2) | 62.7 |
| 15a (C) | 171.3 |
| 15b (CH3) | 21.1 |
