Spektraris NMR
Tricalysioside P
Common Name: Tricalysioside P
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H42O9/c1-24(23(32)33)7-6-18(35-22-21(31)20(30)19(29)15(12-28)34-22)25(2)16(24)5-8-26-9-13(3-4-17(25)26)14(10-26)11-27/h13-22,27-31H,3-12H2,1-2H3,(H,32,33)/t13-,14-,15-,16-,17+,18+,19-,20+,21-,22+,24-,25-,26+/m1/s1
InChIKey: InChIKey=ZRQYTEARUKAHHK-OLZWDFMMSA-N
Formula: C26H42O9
Molecular Weight: 498.607289
Exact Mass: 498.282883
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 (CH) | 92.6 |
| 2 (CH2) | 28.3 |
| 3 (CH2) | 36.7 |
| 4 (C) | 43.6 |
| 5 (CH) | 56.2 |
| 6 (CH2) | 23.2 |
| 7 (CH2) | 43.6 |
| 8 (C) | 46.1 |
| 9 (CH) | 55.2 |
| 10 (C) | 45.8 |
| 11 (CH2) | 21.7 |
| 12 (CH2) | 32.5 |
| 13 (CH) | 44.9 |
| 14 (CH2) | 38.5 |
| 15 (CH2) | 45.7 |
| 16 (CH) | 38.7 |
| 17 (CH2) | 67.2 |
| 18 (CH3) | 29.4 |
| 19 (C) | 180.8 |
| 20 (CH3) | 12.9 |
| 1' (CH) | 104.6 |
| 2' (CH) | 75.8 |
| 3' (CH) | 79.1 |
| 4' (CH) | 71.7 |
| 5' (CH) | 78.4 |
| 6' (CH2) | 62.9 |
