Spektraris NMR
Tricalysioside J
Common Name: Tricalysioside J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H44O11/c1-14(31)38-24-27-9-6-17-25(2,8-7-19(32)26(17,3)12-30)18(27)5-4-15(10-27)28(24,36)13-37-23-22(35)21(34)20(33)16(11-29)39-23/h12,15-24,29,32-36H,4-11,13H2,1-3H3/t15-,16-,17+,18+,19-,20-,21+,22-,23-,24-,25-,26+,27-,28+/m1/s1
InChIKey: InChIKey=LUZSIDHOUJUSHA-HRSAQIEZSA-N
Formula: C28H44O11
Molecular Weight: 556.643452
Exact Mass: 556.288362
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) | 35.9 |
| 2 (CH2) | 28.6 |
| 3 (CH) | 76.1 |
| 4 (C) | 53.3 |
| 5 (CH) | 56.4 |
| 6 (CH2) | 20.2 |
| 7 (CH2) | 38.2 |
| 8 (C) | 47.3 |
| 9 (CH) | 54.1 |
| 10 (C) | 39.3 |
| 11 (CH2) | 19 |
| 12 (CH2) | 25.7 |
| 13 (CH) | 44.7 |
| 14 (CH2) | 36.6 |
| 15 (CH) | 83.8 |
| 16 (C) | 81.1 |
| 17 (CH2) | 75.3 |
| 18 (CH3) | 21.5 |
| 19 (CH) | 207.5 |
| 20 (CH3) | 18.2 |
| 1' (CH) | 106.8 |
| 2' (CH) | 75.5 |
| 3' (CH) | 78.6 |
| 4' (CH) | 71.7 |
| 5' (CH) | 78.3 |
| 6' (CH2) | 62.7 |
| 1ea (C) | 171.2 |
| 1eb (CH3) | 21.1 |
