Spektraris NMR
3-Ketours-13(18)-en-19,28-olide
Common Name: 3-Ketours-13(18)-en-19,28-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H44O3/c1-18-10-15-30-17-16-27(5)19(23(30)29(18,7)33-24(30)32)8-9-21-26(4)13-12-22(31)25(2,3)20(26)11-14-28(21,27)6/h18,20-21H,8-17H2,1-7H3/t18-,20+,21-,26+,27-,28-,29+,30+/m1/s1
InChIKey: InChIKey=OMIQDGUCFBOBMX-HNEBEZSKSA-N
Formula: C30H44O3
Molecular Weight: 452.669685
Exact Mass: 452.329045
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tapondjou, L.A., Ngounou, F.N., Lontsi, D., Sondengam, B.L., Connolly, J.D. Tetrahedron (1998) 54, 2099-106
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Ursanes; 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) | 39.77 |
| 2 (CH2) | 34.28 |
| 3 (C) | 218.05 |
| 4 (C) | 47.12 |
| 5 (CH) | 54.73 |
| 6 (CH2) | 18.66 |
| 7 (CH2) | 32.78 |
| 8 (C) | 41.36 |
| 9 (CH) | 50.19 |
| 10 (C) | 37.04 |
| 11 (CH2) | 20.29 |
| 12 (CH2) | 21.96 |
| 13 (C) | 140 |
| 14 (C) | 42.44 |
| 15 (CH2) | 27.94 |
| 16 (CH2) | 25.27 |
| 17 (C) | 47.22 |
| 18 (C) | 132.05 |
| 19 (C) | 83 |
| 20 (CH) | 40.35 |
| 21 (CH2) | 25.27 |
| 22 (CH2) | 37.04 |
| 23 (CH3) | 26.83 |
| 24 (CH3) | 20.29 |
| 25 (CH3) | 16.5 |
| 26 (CH3) | 17.61 |
| 27 (CH3) | 21 |
| 28 (C) | 176.01 |
| 29 (CH3) | 22.36 |
| 30 (CH3) | 16.45 |
