Spektraris NMR
Radiatin
Common Name: Radiatin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H24O6/c1-8(2)17(22)25-16-13-10(4)18(23)24-15(13)14(21)9(3)11-6-7-12(20)19(11,16)5/h6-7,9-11,13-16,21H,1H2,2-5H3/t9-,10-,11-,13+,14+,15-,16-,19-/m0/s1
InChIKey: InChIKey=UAGDSHSRQZJWSQ-HYJBFAGTSA-N
Formula: C19H24O6
Molecular Weight: 348.39099
Exact Mass: 348.157289
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Pettit, G.R., Herald, C.L., Gust, D., Herald, D.L., Vanell, L.D. J Org Chem (1978) 43, 1092
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Ambrosanes; 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) | 49.5 |
| 2 (CH) | 161.7 |
| 3 (CH) | 130 |
| 4 (C) | 209 |
| 5 (C) | 54.5 |
| 6 (CH) | 72.2 |
| 7 (CH) | 47 |
| 8 (CH) | 84.7 |
| 9 (CH) | 78.1 |
| 10 (CH) | 32.8 |
| 11 (CH) | 40.5 |
| 12 (C) | 178 |
| 13 (CH3) | 10.8 |
| 14 (CH3) | 15.8 |
| 15 (CH3) | 17.3 |
| 6a (C) | 166 |
| 6b (C) | 136 |
| 6c (CH2) | 126.2 |
| 6ba (CH3) | 18.1 |
