Spektraris NMR
Malonganenones B
Common Name: Malonganenones B
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/h10,14,17-20H,8-9,11-13,15-16H2,1-7H3,(H,28,34)/b21-10+,22-14+,23-17-
InChIKey: InChIKey=BRGBNADJYSOXIE-FGVXUPOYSA-N
Formula: C27H42N4O3
Molecular Weight: 470.648568
Exact Mass: 470.325691
NMR Solvent: CDCl3
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) | 43.8 |
| 2 (CH) | 119.3 |
| 3 (C) | 140.3 |
| 4 (CH2) | 38.9 |
| 5 (CH2) | 25.7 |
| 6 (CH) | 127.6 |
| 7 (C) | 134.6 |
| 8 (CH2) | 39.1 |
| 9 (CH2) | 25.8 |
| 10 (CH2) | 32.6 |
| 11 (C) | 157.7 |
| 12 (CH) | 124.1 |
| 13 (C) | 199.6 |
| 14 (CH2) | 54.3 |
| 15 (CH) | 24.4 |
| 16 (CH3) | 22.3 |
| 17 (CH3) | 22.3 |
| 18 (CH3) | 24.8 |
| 19 (CH3) | 15.6 |
| 20 (CH3) | 15.7 |
| 2' (CH) | 162.2 |
| 4' (C) | 140.1 |
| 5' (C) | 117 |
| 6' (C) | 159.9 |
| 8' (CH) | 136.3 |
| 10' (CH3) | 31.2 |
| 11' (CH3) | 25.7 |
