Spektraris NMR
Tricalysioside S
Common Name: Tricalysioside S
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H46O10/c1-15(31)37-24-27-10-7-18-25(2,13-30)8-4-9-26(18,3)19(27)6-5-16(11-27)28(24,35)14-36-23-22(34)21(33)20(32)17(12-29)38-23/h16-24,29-30,32-35H,4-14H2,1-3H3/t16-,17-,18-,19+,20-,21+,22-,23-,24-,25+,26-,27-,28+/m1/s1
InChIKey: InChIKey=AJBOEXBQXOZTLY-NYEAKCOISA-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) | 40.5 |
| 2 (CH2) | 18.7 |
| 3 (CH2) | 36.6 |
| 4 (C) | 39.8 |
| 5 (CH) | 56.7 |
| 6 (CH2) | 20.1 |
| 7 (CH2) | 36.2 |
| 8 (C) | 47.6 |
| 9 (CH) | 55.8 |
| 10 (C) | 39.2 |
| 11 (CH2) | 18.9 |
| 12 (CH2) | 25.9 |
| 13 (CH) | 44.8 |
| 14 (CH2) | 36.5 |
| 15 (CH) | 84 |
| 16 (C) | 81.2 |
| 17 (CH2) | 75.2 |
| 18 (CH3) | 27.9 |
| 19 (CH2) | 64.3 |
| 20 (CH3) | 18.9 |
| 1' (CH) | 105.8 |
| 2' (CH) | 75.4 |
| 3' (CH) | 78.5 |
| 4' (CH) | 71.7 |
| 5' (CH) | 78.3 |
| 6' (CH2) | 62.7 |
| 15a (C) | 173 |
| 15b (CH3) | 21 |
