Spektraris NMR
3-epi-Elisabanolide
Common Name: 3-epi-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+/m1/s1
InChIKey: InChIKey=LUSIDMIZRMEVBC-IFEIQORVSA-N
Formula: C19H26O4
Molecular Weight: 318.408061
Exact Mass: 318.183109
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodriguez, A.D., Ramirez, C., Rodriguez, I., Barnes, C.L. J Org Chem (2000) 65, 1390-8
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) | 76.2 |
| 2 (C) | 206.2 |
| 3 (CH) | 43.2 |
| 4 (CH2) | 31 |
| 5 (CH2) | 21.7 |
| 6 (CH) | 55.1 |
| 7 (CH) | 37.1 |
| 8 (CH2) | 42.1 |
| 9 (CH) | 40.3 |
| 10 (CH) | 60.6 |
| 11 (C) | 84.7 |
| 12 (CH3) | 24.4 |
| 13 (CH3) | 30.5 |
| 14 (C) | 205.6 |
| 15 (C) | 62.3 |
| 16 (C) | 172.1 |
| 17 (CH3) | 23.9 |
| 18 (CH3) | 14.6 |
| 19 (CH3) | 17.9 |
