Spektraris NMR
Briarellin J
Common Name: Briarellin J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O5/c1-12-7-6-9-22(5)19-17-15(13(2)20(24)27-22)8-10-21(4,26-14(3)23)18(17)16(11-12)25-19/h7,13,15-19H,6,8-11H2,1-5H3/b12-7-/t13-,15+,16+,17+,18+,19+,21-,22+/m1/s1
InChIKey: InChIKey=QQZBIRHKOVCIIO-UZIURNBMSA-N
Formula: C22H32O5
Molecular Weight: 376.487318
Exact Mass: 376.224974
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) | 45.7 |
| 2 (CH) | 91.9 |
| 3 (C) | 85.4 |
| 4 (CH2) | 34.4 |
| 5 (CH2) | 22.9 |
| 6 (CH) | 129.7 |
| 7 (C) | 131.5 |
| 8 (CH2) | 38.5 |
| 9 (CH) | 80.6 |
| 10 (CH) | 50.2 |
| 11 (C) | 81.4 |
| 12 (CH2) | 30.2 |
| 13 (CH2) | 16.8 |
| 14 (CH) | 37.4 |
| 15 (CH3) | 23.2 |
| 16 (CH3) | 26.5 |
| 17 (CH3) | 28.7 |
| 18 (CH) | 46.2 |
| 19 (CH3) | 17.7 |
| 20 (C) | 176.2 |
| 11a (C) | 169.8 |
| 11b (CH3) | 22.4 |
