Spektraris NMR
Tricalysioside H
Common Name: Tricalysioside H
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H42O10/c1-23(22(32)33)7-6-17(36-21-20(31)19(30)18(29)14(10-27)35-21)24(2)15(23)5-8-25-9-13(3-4-16(24)25)26(34,11-25)12-28/h13-21,27-31,34H,3-12H2,1-2H3,(H,32,33)/t13-,14-,15-,16+,17+,18-,19+,20-,21+,23-,24-,25+,26+/m1/s1
InChIKey: InChIKey=APRCBKBPYIBURE-FPVUTZDISA-N
Formula: C26H42O10
Molecular Weight: 514.606694
Exact Mass: 514.277798
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 (CH) | 92.6 |
| 2 (CH2) | 28.3 |
| 3 (CH2) | 36.7 |
| 4 (C) | 43.6 |
| 5 (CH) | 56 |
| 6 (CH2) | 22.8 |
| 7 (CH2) | 43.7 |
| 8 (C) | 46 |
| 9 (CH) | 55.7 |
| 10 (C) | 45.8 |
| 11 (CH2) | 21.2 |
| 12 (CH2) | 27.4 |
| 13 (CH) | 45.7 |
| 14 (CH2) | 39 |
| 15 (CH2) | 53.7 |
| 16 (C) | 82.1 |
| 17 (CH2) | 66.4 |
| 18 (CH3) | 29.3 |
| 19 (C) | 179.9 |
| 20 (CH3) | 13 |
| 1' (CH) | 104.6 |
| 2' (CH) | 75.8 |
| 3' (CH) | 79.1 |
| 4' (CH) | 71.8 |
| 5' (CH) | 78.5 |
| 6' (CH2) | 62.9 |
