Spektraris NMR
Sphenoloba-13E,16E,18-trien-4-one
Common Name: Sphenoloba-13E,16E,18-trien-4-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O/c1-14(2)7-6-8-15(3)17-11-12-20(5)13-19(21)16(4)9-10-18(17)20/h6-8,16-18H,1,9-13H2,2-5H3/b7-6+,15-8-/t16-,17?,18+,20-/m1/s1
InChIKey: InChIKey=RONXCTFPFNBKGV-XCJMXJOOSA-N
Formula: C20H30O1
Molecular Weight: 286.452345
Exact Mass: 286.229666
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Buchanan, M.S., Connolly, J.D., Rycroft, D.S. Phytochemistry (1996) 43, 1297-301
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Sphenolobanes; 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) | 26.6 |
| 2 (CH2) | 33.9 |
| 3 (CH) | 47.5 |
| 4 (C) | 215.3 |
| 5 (CH2) | 55.8 |
| 6 (C) | 40.9 |
| 7 (CH2) | 41.6 |
| 8 (CH2) | 26.6 |
| 9 (CH) | 53.2 |
| 10 (CH) | 55 |
| 11 (CH3) | 18 |
| 12 (CH3) | 19.6 |
| 13 (C) | 140.5 |
| 14 (CH3) | 13.2 |
| 15 (CH) | 126.1 |
| 16 (CH) | 125 |
| 17 (CH) | 133 |
| 18 (C) | 142.3 |
| 19 (CH2) | 115.8 |
| 20 (CH3) | 18.6 |
