Spektraris NMR
Tricalysioside U
Common Name: Tricalysioside U
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H46O8/c1-15(10-13-27)6-7-18-25(4)11-9-19(24(2,3)17(25)8-12-26(18,5)32)34-23-22(31)21(30)20(29)16(14-28)33-23/h10,16-23,27-32H,6-9,11-14H2,1-5H3/b15-10+/t16-,17+,18-,19+,20-,21+,22-,23+,25+,26+/m1/s1
InChIKey: InChIKey=FCBACUGWODQDAW-ITGYZVCLSA-N
Formula: C26H46O8
Molecular Weight: 486.639647
Exact Mass: 486.319268
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 : Labdanes; 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) | 38.3 |
| 2 (CH2) | 26.6 |
| 3 (CH) | 89 |
| 4 (C) | 39.7 |
| 5 (CH) | 55.8 |
| 6 (CH2) | 20.5 |
| 7 (CH2) | 45.1 |
| 8 (C) | 73 |
| 9 (CH) | 61.9 |
| 10 (C) | 38.9 |
| 11 (CH2) | 24.6 |
| 12 (CH2) | 43.7 |
| 13 (C) | 138.6 |
| 14 (CH) | 125.4 |
| 15 (CH2) | 59 |
| 16 (CH3) | 16.7 |
| 17 (CH3) | 24.5 |
| 18 (CH3) | 28.3 |
| 19 (CH3) | 16.8 |
| 20 (CH3) | 15.9 |
| 1' (CH) | 106.9 |
| 2' (CH) | 75.8 |
| 3' (CH) | 78.8 |
| 4' (CH) | 71.9 |
| 5' (CH) | 78.3 |
| 6' (CH2) | 63 |
