Spektraris NMR
Nigellamine C
Common Name: Nigellamine C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H38N2O5/c1-20(2)24-12-13-31(4)27(38-30(36)23-9-7-15-34-19-23)16-21(3)10-11-26-32(5,39-26)17-25(28(24)31)37-29(35)22-8-6-14-33-18-22/h6-9,14-16,18-19,25-28H,10-13,17H2,1-5H3/b21-16+/t25-,26-,27+,28-,31-,32+/m1/s1
InChIKey: InChIKey=VUAQSLCKQTUSSY-YZMBQZLSSA-N
Formula: C32H38N2O5
Molecular Weight: 530.655808
Exact Mass: 530.278072
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Morikawa, T., Xu, F., Ninomiya, K., Matsuda, H., Yoshikawa, M. Chem Pharm Bull (2004) 52, 494-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Dolabellanes; 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 (C) | 52.8 |
| 2 (CH) | 74 |
| 3 (CH) | 124.8 |
| 4 (C) | 138.7 |
| 5 (CH2) | 37.9 |
| 6 (CH2) | 22.6 |
| 7 (CH) | 65.2 |
| 8 (C) | 59 |
| 9 (CH2) | 41.3 |
| 10 (CH) | 76.4 |
| 11 (CH) | 46.4 |
| 12 (C) | 137.1 |
| 13 (CH2) | 28 |
| 14 (CH2) | 36 |
| 15 (CH3) | 19.6 |
| 16 (CH3) | 16.4 |
| 17 (CH3) | 18.5 |
| 18 (C) | 126.5 |
| 19 (CH3) | 22.3 |
| 20 (CH3) | 21.9 |
| 2a (C) | 164.8 |
| 2b (C) | 126.4 |
| 2c (CH) | 150.9 |
| 2d (CH) | 153.5 |
| 2e (CH) | 123.5 |
| 2f (CH) | 137 |
| 10a (C) | 164.5 |
| 10b (C) | 126.1 |
| 10c (CH) | 150.7 |
| 10d (CH) | 153.6 |
| 10e (CH) | 123.5 |
| 10f (CH) | 136.9 |
