Spektraris NMR
Briarellin K
Common Name: Briarellin K
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O6/c1-11-10-16-18-17-14(6-8-21(18,4)27-13(3)23)12(2)20(25)28-22(5,19(17)26-16)9-7-15(11)24/h12,14-19,24H,1,6-10H2,2-5H3/t12-,14+,15-,16+,17+,18+,19+,21-,22+/m1/s1
InChIKey: InChIKey=QODOELUKAUITNQ-QKAGPBIOSA-N
Formula: C22H32O6
Molecular Weight: 392.486723
Exact Mass: 392.219889
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) | 44.9 |
| 2 (CH) | 91 |
| 3 (C) | 85.2 |
| 4 (CH2) | 28.7 |
| 5 (CH2) | 32.7 |
| 6 (CH) | 72.6 |
| 7 (C) | 147.9 |
| 8 (CH2) | 41.3 |
| 9 (CH) | 82.5 |
| 10 (CH) | 47.8 |
| 11 (C) | 81 |
| 12 (CH2) | 30.4 |
| 13 (CH2) | 16.8 |
| 14 (CH) | 37 |
| 15 (CH3) | 20.7 |
| 16 (CH2) | 117.2 |
| 17 (CH3) | 28.9 |
| 18 (CH) | 45.9 |
| 19 (CH3) | 17.5 |
| 20 (C) | 176.1 |
| 11a (C) | 169.8 |
| 11b (CH3) | 22.3 |
