Spektraris NMR
Nuttingin A
Common Name: Nuttingin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H40N4O3/c1-19(2)16-23(32)17-22(5)13-9-11-20(3)10-8-12-21(4)14-15-31-18-28-25-24(31)26(33)30(7)27(34)29(25)6/h10,13-14,18-19H,8-9,11-12,15-17H2,1-7H3/b20-10+,21-14+,22-13+
InChIKey: InChIKey=SNMBJCGYFMKJRR-YIZVWSOXSA-N
Formula: C27H40N4O3
Molecular Weight: 468.632687
Exact Mass: 468.310041
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) | 117.4 |
| 3 (C) | 143.2 |
| 4 (CH2) | 39.4 |
| 5 (CH2) | 26.1 |
| 6 (CH) | 123.5 |
| 7 (C) | 135.1 |
| 8 (CH2) | 39.2 |
| 9 (CH2) | 39.7 |
| 10 (CH) | 129.3 |
| 11 (C) | 135.4 |
| 12 (CH2) | 54.3 |
| 13 (C) | 209.3 |
| 14 (CH2) | 50.5 |
| 15 (CH) | 24.3 |
| 16 (CH3) | 22.5 |
| 17 (CH3) | 22.5 |
| 18 (CH3) | 16.4 |
| 19 (CH3) | 15.9 |
| 20 (CH3) | 16.5 |
| 2' (C) | 151.7 |
| 4' (C) | 148.8 |
| 5' (C) | 107 |
| 6' (C) | 155.3 |
| 8' (CH) | 140.1 |
| 10' (CH3) | 27.9 |
| 11' (CH3) | 29.7 |
