Spektraris NMR
Tricalysioside K
Common Name: Tricalysioside K
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H42O11/c1-13(30)37-24-26-8-5-16-15(10-28)17(31)6-7-25(16,2)19(26)4-3-14(9-26)27(24,35)12-36-23-22(34)21(33)20(32)18(11-29)38-23/h10,14-24,29,31-35H,3-9,11-12H2,1-2H3/t14-,15-,16-,17-,18-,19+,20-,21+,22-,23-,24-,25-,26-,27+/m1/s1
InChIKey: InChIKey=VTTMFDBPZUELBX-DBSFXJDKSA-N
Formula: C27H42O11
Molecular Weight: 542.616835
Exact Mass: 542.272712
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) | 35.3 |
| 2 (CH2) | 27.2 |
| 3 (CH) | 71.6 |
| 4 (CH) | 56.3 |
| 5 (CH) | 47.2 |
| 6 (CH2) | 22 |
| 7 (CH2) | 38.5 |
| 8 (C) | 47.6 |
| 9 (CH) | 55.2 |
| 10 (C) | 38.3 |
| 11 (CH2) | 18.8 |
| 12 (CH2) | 25.8 |
| 13 (CH) | 44.7 |
| 14 (CH2) | 36.6 |
| 15 (CH) | 83.7 |
| 16 (C) | 81.1 |
| 17 (CH2) | 75.2 |
| 18 (CH) | 207.1 |
| 20 (CH3) | 18.2 |
| 1' (CH) | 105.9 |
| 2' (CH) | 75.4 |
| 3' (CH) | 78.5 |
| 4' (CH) | 71.7 |
| 5' (CH) | 78.3 |
| 6' (CH2) | 62.7 |
| 1ea (C) | 171.2 |
| 1eb (CH3) | 21.1 |
