Spektraris NMR
Ilimaquinone Epoxide
Common Name: Ilimaquinone Epoxide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O5/c1-13-7-9-21(3)17(6-5-8-22(21)12-27-22)20(13,2)11-14-18(24)15(23)10-16(26-4)19(14)25/h10,13,17,24H,5-9,11-12H2,1-4H3/t13-,17-,20+,21-,22-/m0/s1
InChIKey: InChIKey=UJKZGHMXPUKAET-FCHUEIHQSA-N
Formula: C22H30O5
Molecular Weight: 374.471437
Exact Mass: 374.209324
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shen, Y.C., Hsieh, P.W. J Nat Prod (1997) 60, 93-7
Species:
Notes: Family : Terpenoids, Type : Merosesquiterpenoids, Group : Friedodrimanes; 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 (CH2) | 22.7 |
| 2 (CH2) | 27.1 |
| 3 (CH2) | 29.7 |
| 4 (C) | 65.4 |
| 5 (C) | 37.9 |
| 6 (CH2) | 30.8 |
| 7 (CH2) | 30 |
| 8 (CH) | 37.3 |
| 9 (C) | 42.9 |
| 10 (CH) | 46.8 |
| 11 (CH2) | 49.9 |
| 12 (CH3) | 19.7 |
| 13 (CH3) | 17.8 |
| 14 (CH3) | 17.2 |
| 15 (CH2) | 32 |
| 1' (C) | 117.1 |
| 2' (C) | 153.5 |
| 3' (C) | 182.3 |
| 4' (CH) | 102.1 |
| 5' (C) | 161.8 |
| 6' (C) | 182.2 |
| 5'a (CH3) | 56.9 |
