Spektraris NMR
Broussonetone B
Common Name: Broussonetone B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O4/c1-17(2)7-4-8-18(3)13-6-5-12-9-19(13,10-20(12,24)11-21)16(23)14(22)15(17)18/h12-13,15-16,21,23-24H,4-11H2,1-3H3/t12-,13+,15-,16+,18+,19-,20+/m1/s1
InChIKey: InChIKey=DXKOYDRYFOHLGA-SYXWMXQXSA-N
Formula: C20H32O4
Molecular Weight: 336.466442
Exact Mass: 336.23006
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Ko, H.H., Chang, W.L., Lu, T.M. J Nat Prod (2008) 71, 1930-3
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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 (CH2) | 41.5 |
| 2 (CH2) | 19.1 |
| 3 (CH2) | 43.2 |
| 4 (C) | 32.4 |
| 5 (CH) | 58.7 |
| 6 (C) | 214.1 |
| 7 (CH) | 86.2 |
| 8 (C) | 53.5 |
| 9 (CH) | 51.7 |
| 10 (C) | 46 |
| 11 (CH2) | 18.8 |
| 12 (CH2) | 26.8 |
| 13 (CH) | 46 |
| 14 (CH2) | 35.2 |
| 15 (CH2) | 49.7 |
| 16 (C) | 81.2 |
| 17 (CH2) | 66.3 |
| 18 (CH3) | 32.7 |
| 19 (CH3) | 22.4 |
| 20 (CH3) | 19 |
