Spektraris NMR
CHEMBL260391
Common Name: CHEMBL260391
Synonyms: CHEMBL260391
CAS Registry Number:
InChI: InChI=1S/C23H39NO3/c1-7-24-22(25)27-21-15-19(5)10-8-9-18(4)11-12-20(17(2)3)13-14-23(6,26)16-21/h9,13-15,17,20-21,26H,7-8,10-12,16H2,1-6H3,(H,24,25)/b14-13+,18-9+,19-15+/t20-,21+,23+/m1/s1
InChIKey: InChIKey=UFRQKPKMUJPYAC-FKCKUYFUSA-N
Formula: C23H39N1O3
Molecular Weight: 377.561573
Exact Mass: 377.292994
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - El Sayed, K.A., Laphookhieo, S., Baraka, H.N., Yousaf, M., Hebert, A., Bagaley, D., Rainey, F.A., Muralidharan, A., Thomas, S., Shah, G.V. Bioorg Med Chem (2008) 16, 2886-93
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cembranes; 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 (CH) | 46 |
| 2 (CH) | 130.1 |
| 3 (CH) | 136.5 |
| 4 (C) | 70.8 |
| 5 (CH2) | 51.7 |
| 6 (CH) | 68.7 |
| 7 (CH) | 127.3 |
| 8 (C) | 139.3 |
| 9 (CH2) | 38.9 |
| 10 (CH2) | 23.1 |
| 11 (CH) | 124 |
| 12 (C) | 133.5 |
| 13 (CH2) | 35.9 |
| 14 (CH2) | 27.4 |
| 15 (CH) | 33.1 |
| 16 (CH3) | 19.5 |
| 17 (CH3) | 20.4 |
| 18 (CH3) | 28.2 |
| 19 (CH3) | 15.9 |
| 20 (CH3) | 15 |
| 6a (C) | 156.6 |
| 6b (CH2) | 36.5 |
| 6c (CH3) | 15.3 |
