Spektraris NMR
Briarellin N
Common Name: Briarellin N
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H36O7/c1-12-14-7-9-22(4,29-13(2)24)18-15-11-21(3,26)16(27-6)8-10-23(5,30-20(12)25)19(28-15)17(14)18/h12,14-19,26H,7-11H2,1-6H3/t12-,14+,15+,16-,17+,18+,19+,21-,22-,23+/m1/s1
InChIKey: InChIKey=BFRZTCFDEPTFFN-BKQXXILRSA-N
Formula: C23H36O7
Molecular Weight: 424.528627
Exact Mass: 424.246104
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ospina, C.A., Rodriguez, A.D., Ortega-Barria, E., Capson, T.L. J Nat Prod (2003) 66, 357-63
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Eunicellanes; 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) | 44.5 |
| 2 (CH) | 95.4 |
| 3 (C) | 86.4 |
| 4 (CH2) | 35.9 |
| 5 (CH2) | 26.3 |
| 6 (CH) | 89.3 |
| 7 (C) | 75.5 |
| 8 (CH2) | 45.8 |
| 9 (CH) | 78.8 |
| 10 (CH) | 54.5 |
| 11 (C) | 81.7 |
| 12 (CH2) | 30 |
| 13 (CH2) | 16.9 |
| 14 (CH) | 38.4 |
| 15 (CH3) | 23.3 |
| 16 (CH3) | 23.2 |
| 17 (CH3) | 28.7 |
| 18 (CH) | 46.2 |
| 19 (CH3) | 17.6 |
| 20 (C) | 176.2 |
| 6a (CH3) | 56.8 |
| 11a (C) | 169.5 |
| 11b (CH3) | 22.3 |
