Spektraris NMR
Nuttingin E
Common Name: Nuttingin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H42N4O2/c1-20(2)16-24(32)17-23(5)13-9-11-21(3)10-8-12-22(4)14-15-31-18-28-26-25(31)27(33)30(7)19-29(26)6/h10,14,17-18,20H,8-9,11-13,15-16,19H2,1-7H3/b21-10+,22-14+,23-17-
InChIKey: InChIKey=VVFKJCSQWFALCI-FGVXUPOYSA-N
Formula: C27H42N4O2
Molecular Weight: 454.649163
Exact Mass: 454.330777
NMR Solvent: C+C
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) | 44.8 |
| 2 (CH) | 118.9 |
| 3 (C) | 142.9 |
| 4 (CH2) | 39.9 |
| 5 (CH2) | 27 |
| 6 (CH) | 124.5 |
| 7 (C) | 136.2 |
| 8 (CH2) | 40.2 |
| 9 (CH2) | 27 |
| 10 (CH2) | 34.2 |
| 11 (C) | 136.2 |
| 12 (CH) | 124.9 |
| 13 (C) | 201.3 |
| 14 (CH2) | 54.2 |
| 15 (CH) | 25.9 |
| 16 (CH3) | 22.5 |
| 17 (CH3) | 22.5 |
| 18 (CH3) | 25.9 |
| 19 (CH3) | 15.8 |
| 20 (CH3) | 16.4 |
| 2' (CH2) | 70.6 |
| 4' (C) | 157.8 |
| 5' (C) | 107 |
| 6' (C) | 160.9 |
| 8' (CH) | 138.8 |
| 10' (CH3) | 35.4 |
| 11' (CH3) | 32.2 |
