Spektraris NMR
Tingenone
Common Name: Tingenone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H36O3/c1-16-13-23-25(3,15-21(16)30)9-11-27(5)22-8-7-18-17(2)24(31)20(29)14-19(18)26(22,4)10-12-28(23,27)6/h7-8,14,16,23,31H,9-13,15H2,1-6H3/t16-,23-,25+,26+,27-,28+/m1/s1
InChIKey: InChIKey=WSTYNZDAOAEEKG-GWJSGULQSA-N
Formula: C28H36O3
Molecular Weight: 420.584687
Exact Mass: 420.266445
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gunatilaka A. A. L., Fernando C., Kikuchi T., Tezuka Y. Magn Reson Chem (1989) 27, 803
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Celastranes; 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) | 119.8 |
| 2 (C) | 178.4 |
| 3 (C) | 146.1 |
| 4 (C) | 117.1 |
| 5 (C) | 127.8 |
| 6 (CH) | 133.5 |
| 7 (CH) | 118.1 |
| 8 (C) | 168.6 |
| 9 (C) | 42.7 |
| 10 (C) | 164.7 |
| 11 (CH2) | 33.8 |
| 12 (CH2) | 30 |
| 13 (C) | 40.6 |
| 14 (C) | 44.7 |
| 15 (CH2) | 28.5 |
| 16 (CH2) | 35.5 |
| 17 (C) | 38.2 |
| 18 (CH) | 43.6 |
| 19 (CH2) | 32.1 |
| 20 (CH) | 41.9 |
| 21 (C) | 213.5 |
| 22 (CH2) | 52.5 |
| 23 (CH3) | 10.3 |
| 25 (CH3) | 39.1 |
| 26 (CH3) | 21.6 |
| 27 (CH3) | 19.7 |
| 28 (CH3) | 32.6 |
| 30 (CH3) | 15.1 |
