Spektraris NMR
Brassicicene F
Common Name: Brassicicene F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H32O5/c1-11(2)18-14-8-17(22)12(3)13-6-7-21(25,10-26-5)16(13)9-15(14)20(4,24)19(18)23/h9,11-13,15,17,22,24-25H,6-8,10H2,1-5H3/b16-9+/t12-,13+,15-,17+,20-,21+/m1/s1
InChIKey: InChIKey=XADRPXRDEQKIKB-NDGBSBFFSA-N
Formula: C21H32O5
Molecular Weight: 364.476583
Exact Mass: 364.224974
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - MacKinnon, S.L., Keifer, P., Ayer, W.A. Phytochemistry (1999) 51, 215-21
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Fusicoccanes; 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) | 65.4 |
| 2 (CH) | 127.3 |
| 3 (C) | 151.3 |
| 4 (C) | 84 |
| 5 (CH2) | 36.5 |
| 6 (CH2) | 38 |
| 7 (CH) | 47.3 |
| 8 (CH) | 50.5 |
| 9 (CH) | 75.6 |
| 10 (CH2) | 29 |
| 11 (C) | 172.4 |
| 12 (C) | 149.8 |
| 13 (C) | 200 |
| 14 (C) | 81.2 |
| 15 (CH3) | 21.5 |
| 16 (CH2) | 79.3 |
| 17 (CH3) | 12.9 |
| 18 (CH) | 29 |
| 19 (CH3) | 18.9 |
| 20 (CH3) | 21.7 |
| 16a (CH3) | 59.6 |
