Spektraris NMR
14-Oxoferutinin
Common Name: 14-Oxoferutinin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O5/c1-14(2)22(26)11-10-21(3)9-8-15(13-23)12-18(19(21)22)27-20(25)16-4-6-17(24)7-5-16/h4-8,13-14,18-19,24,26H,9-12H2,1-3H3/t18-,19+,21-,22+/m0/s1
InChIKey: InChIKey=JENQPAWXVQJHSO-YUVXSKOASA-N
Formula: C22H28O5
Molecular Weight: 372.455555
Exact Mass: 372.193674
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Appendino, G., Spagliardi, P., Sterner, O., Milligan, S. J Nat Prod (2004) 67, 1557-64
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Daucanes; 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) | 44.3 |
| 2 (CH2) | 43 |
| 3 (CH2) | 31.7 |
| 4 (C) | 87.4 |
| 5 (CH) | 60.1 |
| 6 (CH) | 70.7 |
| 7 (CH2) | 31.3 |
| 8 (C) | 140.8 |
| 9 (CH) | 156.8 |
| 10 (CH2) | 41.8 |
| 11 (CH) | 37.4 |
| 12 (CH3) | 18.9 |
| 13 (CH3) | 17.9 |
| 14 (CH) | 194.2 |
| 15 (CH3) | 21 |
| 1' (C) | 121.8 |
| 2' (CH) | 132.5 |
| 3' (CH) | 116 |
| 4' (C) | 161.9 |
| 5' (CH) | 116 |
| 6' (CH) | 132.5 |
| 7' (C) | 167.5 |
