Spektraris NMR
8,9-Methlenferutinin
Common Name: 8,9-Methlenferutinin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H32O4/c1-14(2)23(26)10-9-21(3)11-16-12-22(16,4)13-18(19(21)23)27-20(25)15-5-7-17(24)8-6-15/h5-8,14,16,18-19,24,26H,9-13H2,1-4H3/t16-,18+,19-,21-,22-,23-/m1/s1
InChIKey: InChIKey=PYSHNLRVMUGKBQ-BUKYVQLSSA-N
Formula: C23H32O4
Molecular Weight: 372.498649
Exact Mass: 372.23006
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) | 45.7 |
| 2 (CH2) | 18.9 |
| 3 (CH2) | 45.7 |
| 4 (C) | 32.3 |
| 5 (CH) | 87.4 |
| 6 (CH) | 61.8 |
| 7 (CH2) | 19.9 |
| 8 (C) | 72.2 |
| 9 (CH) | 43.5 |
| 10 (CH2) | 15.3 |
| 11 (CH) | 21.9 |
| 12 (CH3) | 41 |
| 13 (CH3) | 37.4 |
| 14 (CH3) | 18 |
| 15 (CH3) | 25.6 |
| 1' (C) | 122.3 |
| 2' (CH) | 132.4 |
| 3' (CH) | 116 |
| 4' (C) | 161.7 |
| 5' (CH) | 116 |
| 6' (CH) | 132.4 |
| 7' (C) | 167.8 |
| 9a (CH2) | 24 |
