Spektraris NMR
seco-Briarellin
Common Name: seco-Briarellin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O6/c1-11(22)10-14-16-15-13(6-8-19(16,3)24)12(2)18(23)26-20(4,7-5-9-21)17(15)25-14/h5,7,9,12-17,24H,6,8,10H2,1-4H3/b7-5+/t12-,13+,14+,15+,16+,17+,19-,20+/m1/s1
InChIKey: InChIKey=JXXLIZMZSBYZGB-HOTWEPRVSA-N
Formula: C20H28O6
Molecular Weight: 364.433489
Exact Mass: 364.188589
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodriguez, A.D., Cobar, O.M. Tetrahedron (1995) 51, 6869-80
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) | 43.6 |
| 2 (CH) | 88.7 |
| 3 (C) | 74.1 |
| 4 (CH) | 160.7 |
| 5 (CH) | 130.3 |
| 6 (CH) | 193.4 |
| 7 (C) | 206.4 |
| 8 (CH2) | 47.9 |
| 9 (CH) | 77.6 |
| 10 (CH) | 51.1 |
| 11 (C) | 80 |
| 12 (CH2) | 29.7 |
| 13 (CH2) | 16.1 |
| 14 (CH) | 36 |
| 15 (CH) | 45.6 |
| 16 (C) | 175.4 |
| 17 (CH3) | 17.8 |
| 18 (CH3) | 23.6 |
| 19 (CH3) | 31.3 |
| 20 (CH3) | 28.7 |
