Spektraris NMR
Malonganenones A
Common Name: Malonganenones A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H38N4O2/c1-19(2)15-23(31)16-22(5)12-8-10-20(3)9-7-11-21(4)13-14-30-18-27-25-24(30)26(32)28-17-29(25)6/h9,13,16-19H,7-8,10-12,14-15H2,1-6H3/b20-9+,21-13+,22-16-
InChIKey: InChIKey=YFUQCEYIDJYEII-HLMZKVHVSA-N
Formula: C26H38N4O2
Molecular Weight: 438.606664
Exact Mass: 438.299476
NMR Solvent: C+C
MHz:
Calibration:
NMR references: 13C - Keyzers, R.A., Gray, C.A., Schleyer, M.H., Whibley, C.E., Hendricks, D.T., Davies-Coleman, M.T. Tetrahedron (2006) 62, 2200-6
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Phytanes; 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) | 45.5 |
| 2 (CH) | 119.9 |
| 3 (C) | 143.5 |
| 4 (CH2) | 40.4 |
| 5 (CH2) | 27 |
| 6 (CH) | 125.1 |
| 7 (C) | 136.3 |
| 8 (CH2) | 40.8 |
| 9 (CH2) | 27.6 |
| 10 (CH2) | 34.4 |
| 11 (C) | 161.2 |
| 12 (CH) | 125 |
| 13 (C) | 202.8 |
| 14 (CH2) | 54.3 |
| 15 (CH) | 26.7 |
| 16 (CH3) | 22.9 |
| 17 (CH3) | 22.9 |
| 18 (CH3) | 25.6 |
| 19 (CH3) | 16 |
| 20 (CH3) | 16.6 |
| 2' (CH) | 149.9 |
| 4' (C) | 149.1 |
| 5' (C) | 115.9 |
| 6' (C) | 164.5 |
| 8' (CH) | 143.3 |
| 10' (CH3) | 35.5 |
