Spektraris NMR
Malonganenone E
Common Name: Malonganenone E
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-BQQOVBDFSA-N
Formula: C26H38N4O2
Molecular Weight: 438.606664
Exact Mass: 438.299476
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sorek, H., Rudi, A., Benayahu, Y., Ben-Califa, N., Neumann, D., Kashman, Y. J Nat Prod (2007) 70, 1104-9
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) | 44.4 |
| 2 (CH) | 117.5 |
| 3 (C) | 143.6 |
| 4 (CH2) | 39.4 |
| 5 (CH2) | 26 |
| 6 (CH) | 123.5 |
| 7 (C) | 135.2 |
| 8 (CH2) | 40.7 |
| 9 (CH2) | 25.7 |
| 10 (CH2) | 33.4 |
| 11 (C) | 158.2 |
| 12 (CH) | 123.9 |
| 13 (C) | 201.2 |
| 14 (CH2) | 53.4 |
| 15 (CH) | 25.1 |
| 16 (CH3) | 22.6 |
| 17 (CH3) | 22.6 |
| 18 (CH3) | 19.2 |
| 19 (CH3) | 15.8 |
| 20 (CH3) | 16.5 |
| 2' (CH) | 147.5 |
| 4' (C) | 147.4 |
| 5' (C) | 115 |
| 6' (C) | 162.1 |
| 8' (CH) | 140.3 |
| 10' (CH3) | 35 |
