Spektraris NMR
Elisabetholide
Common Name: Elisabetholide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O6/c1-7-27-19(25)22-14(5)8-9-16-13(4)11-15(10-12(2)3)21(16,22)17(23)20(6,26)18(24)28-22/h10,13-16,26H,7-9,11H2,1-6H3/t13-,14-,15+,16+,20-,21-,22+/m0/s1
InChIKey: InChIKey=QQDKJKZNUXLVDK-KPTDTMQLSA-N
Formula: C22H32O6
Molecular Weight: 392.486723
Exact Mass: 392.219889
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Diana, P., Barraja, P., Lauria, A., Almerico, A.M., Dattolo, G., Cirrincione, G. Tetrahedron (2000) 56, 5177-83
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) | 62.1 |
| 2 (C) | 93.2 |
| 3 (CH) | 38.1 |
| 4 (CH2) | 26.4 |
| 5 (CH2) | 25.6 |
| 6 (CH) | 50.1 |
| 7 (CH) | 41.8 |
| 8 (CH2) | 41.5 |
| 9 (CH) | 46 |
| 10 (CH) | 123.1 |
| 11 (C) | 134.1 |
| 12 (CH3) | 26.1 |
| 13 (CH3) | 18 |
| 14 (C) | 209.8 |
| 15 (C) | 84.4 |
| 16 (C) | 171.5 |
| 17 (C) | 174.1 |
| 18 (CH3) | 15.8 |
| 19 (CH3) | 18.2 |
| 20 (CH3) | 23.9 |
| 17a (CH2) | 63.8 |
| 17b (CH3) | 14 |
