Spektraris NMR
Solandelactone F
Common Name: Solandelactone F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H34O4/c1-2-3-4-5-6-8-11-17(23)14-15-20(24)18-16-19(18)21-12-9-7-10-13-22(25)26-21/h6-9,14-15,17-21,23-24H,2-5,10-13,16H2,1H3/b8-6-,9-7-,15-14+/t17-,18+,19+,20+,21+/m0/s1
InChIKey: InChIKey=ZMCHHZFBGBLCJE-DOGKBOFRSA-N
Formula: C22H34O4
Molecular Weight: 362.503795
Exact Mass: 362.24571
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Davoren, J.E., Harcken, C., Martin, S.F. J Org Chem (2008) 73, 391-402
Species:
Notes: Family : Lipids, Type : Oxylipins; 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) | 176.9 |
| 2 (CH2) | 37.7 |
| 3 (CH2) | 24.4 |
| 4 (CH) | 131.7 |
| 5 (CH) | 128 |
| 6 (CH2) | 34.3 |
| 7 (CH) | 80.8 |
| 8 (CH) | 19.7 |
| 9 (CH2) | 9 |
| 10 (CH) | 23.5 |
| 11 (CH) | 74.7 |
| 12 (CH) | 133.9 |
| 13 (CH) | 132.8 |
| 14 (CH) | 71.6 |
| 15 (CH2) | 35.3 |
| 16 (CH) | 124 |
| 17 (CH) | 133.6 |
| 18 (CH2) | 27.4 |
| 19 (CH2) | 29.3 |
| 20 (CH2) | 31.5 |
| 21 (CH2) | 22.5 |
| 22 (CH3) | 14 |
