Spektraris NMR
Elisabethadione
Common Name: Elisabethadione
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O3/c1-11(2)7-6-8-12(3)15-10-9-13(4)16-17(15)18(21)14(5)19(22)20(16)23/h7,12-13,15,22H,6,8-10H2,1-5H3/t12-,13-,15+/m0/s1
InChIKey: InChIKey=IRXCXTYZMLAQJV-KCQAQPDRSA-N
Formula: C20H28O3
Molecular Weight: 316.435274
Exact Mass: 316.203845
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ata, A., Kerr, R.G., Moya, C.E., Jacobs, R.S. Tetrahedron (2003) 59, 4215-22
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Serrulatanes; 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) | 35.1 |
| 2 (CH2) | 25.4 |
| 3 (CH2) | 26.7 |
| 4 (CH) | 40.9 |
| 5 (C) | 191 |
| 6 (C) | 117.4 |
| 7 (C) | 159.9 |
| 8 (C) | 190 |
| 9 (C) | 144.6 |
| 10 (C) | 150.8 |
| 11 (CH) | 35.6 |
| 12 (CH2) | 41.2 |
| 13 (CH2) | 39.6 |
| 14 (CH) | 127.4 |
| 15 (C) | 147.1 |
| 16 (CH3) | 25 |
| 17 (CH3) | 20.8 |
| 18 (CH3) | 16.1 |
| 19 (CH3) | 13.9 |
| 20 (CH3) | 17.5 |
