Spektraris NMR
Ferutinin β-epoxide
Common Name: Ferutinin β-epoxide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O5/c1-13(2)22(25)10-9-20(3)12-17-21(4,27-17)11-16(18(20)22)26-19(24)14-5-7-15(23)8-6-14/h5-8,13,16-18,23,25H,9-12H2,1-4H3/t16-,17+,18+,20+,21-,22+/m0/s1
InChIKey: InChIKey=NZRACXOBLXBSFK-NDDOAYCYSA-N
Formula: C22H30O5
Molecular Weight: 374.471437
Exact Mass: 374.209324
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) | 42.7 |
| 2 (CH2) | 42.2 |
| 3 (CH2) | 31.9 |
| 4 (C) | 85.2 |
| 5 (CH) | 59.9 |
| 6 (CH) | 71.4 |
| 7 (CH2) | 40.7 |
| 8 (C) | 52.7 |
| 9 (CH) | 58 |
| 10 (CH2) | 40 |
| 11 (CH) | 36.8 |
| 12 (CH3) | 18.4 |
| 13 (CH3) | 17.3 |
| 14 (CH3) | 24.2 |
| 15 (CH3) | 23.3 |
| 1' (C) | 121.8 |
| 2' (CH) | 131.9 |
| 3' (CH) | 115.4 |
| 4' (C) | 160.8 |
| 5' (CH) | 115.4 |
| 6' (CH) | 131.9 |
| 7' (C) | 166.7 |
