Spektraris NMR
Malonganenone H
Common Name: Malonganenone H
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H35NO2/c1-17(2)14-21(24)15-20(5)11-7-9-18(3)8-6-10-19(4)12-13-22-16-23/h8,12,15-17H,6-7,9-11,13-14H2,1-5H3,(H,22,23)/b18-8+,19-12+,20-15+
InChIKey: InChIKey=HWWWXUSKGJVFKD-JWZAADIXSA-N
Formula: C21H35N1O2
Molecular Weight: 333.508933
Exact Mass: 333.266779
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) | 36.5 |
| 2 (CH) | 120.2 |
| 3 (C) | 141.2 |
| 4 (CH2) | 41.1 |
| 5 (CH2) | 26.6 |
| 6 (CH) | 124.4 |
| 7 (C) | 135.9 |
| 8 (CH2) | 39.5 |
| 9 (CH2) | 26.2 |
| 10 (CH2) | 33.9 |
| 11 (C) | 160 |
| 12 (CH) | 125 |
| 13 (C) | 201 |
| 14 (CH2) | 54.2 |
| 15 (CH) | 25.6 |
| 16 (CH3) | 23.4 |
| 17 (CH3) | 23.4 |
| 18 (CH3) | 20 |
| 19 (CH3) | 16.6 |
| 20 (CH3) | 17 |
| 1' (CH) | 161.6 |
