Spektraris NMR
Malonganenone F
Common Name: Malonganenone F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H42N4O3/c1-20(2)16-24(33)17-23(5)13-9-11-21(3)10-8-12-22(4)14-15-31-18-29-26(30(7)19-32)25(31)27(34)28-6/h10,13-14,18-20H,8-9,11-12,15-17H2,1-7H3,(H,28,34)/b21-10+,22-14+,23-13+
InChIKey: InChIKey=TUQVFEKZBCAKLE-ZXABJLRBSA-N
Formula: C27H42N4O3
Molecular Weight: 470.648568
Exact Mass: 470.325691
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) | 45 |
| 2 (CH) | 120.5 |
| 3 (C) | 141.3 |
| 4 (CH2) | 39.9 |
| 5 (CH2) | 26.9 |
| 6 (CH) | 124.9 |
| 7 (C) | 135.7 |
| 8 (CH2) | 39.9 |
| 9 (CH2) | 27 |
| 10 (CH) | 129.8 |
| 11 (C) | 130.3 |
| 12 (CH2) | 54.6 |
| 13 (C) | 209.7 |
| 14 (CH2) | 51 |
| 15 (CH) | 24.9 |
| 16 (CH3) | 23.5 |
| 17 (CH3) | 23.5 |
| 18 (CH3) | 17.4 |
| 19 (CH3) | 16.9 |
| 20 (CH3) | 17.3 |
| 2' (CH) | 163.5 |
| 4' (C) | 141.5 |
| 5' (C) | 118.3 |
| 6' (C) | 161.1 |
| 8' (CH) | 137.6 |
| 10' (CH3) | 32.5 |
| 11' (CH3) | 27.2 |
