Spektraris NMR
Elisabanolide
Common Name: Elisabanolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H26O4/c1-9-6-7-11-10(2)8-12-13-17(3,4)23-16(22)18(13,5)15(21)19(11,12)14(9)20/h9-13H,6-8H2,1-5H3/t9-,10-,11+,12-,13+,18-,19-/m0/s1
InChIKey: InChIKey=LUSIDMIZRMEVBC-CLKWZOJHSA-N
Formula: C19H26O4
Molecular Weight: 318.408061
Exact Mass: 318.183109
NMR Solvent: C6D6
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) | 76.7 |
| 2 (C) | 209.2 |
| 3 (CH) | 45.4 |
| 4 (CH2) | 29.1 |
| 5 (CH2) | 27.2 |
| 6 (CH) | 53.6 |
| 7 (CH) | 42.8 |
| 8 (CH2) | 44.3 |
| 9 (CH) | 42.9 |
| 10 (CH) | 57.8 |
| 11 (C) | 84.3 |
| 12 (CH3) | 24.6 |
| 13 (CH3) | 31.6 |
| 14 (C) | 206.8 |
| 15 (C) | 62.2 |
| 16 (C) | 172 |
| 17 (CH3) | 22.6 |
| 18 (CH3) | 18.8 |
| 19 (CH3) | 17.3 |
