Spektraris NMR
Elisabethin A
Common Name: Elisabethin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O3/c1-10(2)8-14-9-12(4)15-7-6-11(3)16-18(22)17(21)13(5)19(23)20(14,15)16/h8,11-12,14-16,21H,6-7,9H2,1-5H3/t11-,12-,14+,15+,16-,20+/m0/s1
InChIKey: InChIKey=QPBAITGYXGUCGL-FKOZTGTQSA-N
Formula: C20H28O3
Molecular Weight: 316.435274
Exact Mass: 316.203845
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodriguez, A.D., Gonzalez, E., Huang, S.D. J Org Chem (1998) 63, 7083-91
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Elisabethanes; 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 (C) | 66.3 |
| 2 (CH) | 53.4 |
| 3 (CH) | 24.4 |
| 4 (CH2) | 25.3 |
| 5 (CH2) | 24 |
| 6 (CH) | 45.8 |
| 7 (CH) | 38 |
| 8 (CH2) | 38.8 |
| 9 (CH) | 47.2 |
| 10 (CH) | 127.3 |
| 11 (C) | 132.8 |
| 12 (CH3) | 25.9 |
| 13 (CH3) | 17.7 |
| 14 (C) | 202.5 |
| 15 (C) | 120.1 |
| 16 (C) | 155.8 |
| 17 (C) | 195.9 |
| 18 (CH3) | 22.6 |
| 19 (CH3) | 18.9 |
| 20 (CH3) | 8.3 |
