Spektraris NMR
Jatrophenone
Common Name: Jatrophenone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O4/c1-12(2)17-8-7-13(3)21(25)18-10-15(5)22(26-16(6)23)19(18)9-14(4)20(24)11-17/h7-9,13-15,17-18,22H,1,10-11H2,2-6H3/b8-7+,19-9-/t13-,14+,15-,17+,18+,22+/m1/s1
InChIKey: InChIKey=XSEUJTRCOWEKGS-WVOWMOBTSA-N
Formula: C22H30O4
Molecular Weight: 358.472032
Exact Mass: 358.214409
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ravindranath, N., Venkataiah, B., Ramesh, C., Jayaprakash, P., Das, B. Chem Pharm Bull (2003) 51, 870-1
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Jatrophanes; 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) | 36.9 |
| 2 (CH) | 37.4 |
| 3 (CH) | 91 |
| 4 (C) | 140 |
| 5 (CH) | 139.7 |
| 6 (CH) | 48.9 |
| 7 (C) | 210.4 |
| 8 (CH2) | 46.2 |
| 9 (CH) | 46.8 |
| 10 (C) | 145.9 |
| 11 (CH) | 134.2 |
| 12 (CH) | 131.2 |
| 13 (CH) | 53.4 |
| 14 (C) | 211 |
| 15 (CH) | 51.2 |
| 16 (CH3) | 13.6 |
| 17 (CH3) | 16.8 |
| 18 (CH3) | 21.3 |
| 19 (CH2) | 110.1 |
| 20 (CH3) | 17.7 |
| 3a (C) | 170.8 |
| 3b (CH3) | 21.3 |
