Spektraris NMR
Dihydroferutinin
Common Name: Dihydroferutinin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O4/c1-14(2)22(25)12-11-21(4)10-9-15(3)13-18(19(21)22)26-20(24)16-5-7-17(23)8-6-16/h5-8,14-15,18-19,23,25H,9-13H2,1-4H3/t15?,18-,19+,21-,22+/m0/s1
InChIKey: InChIKey=MULUBNLISOVTMI-FYOGIGKQSA-N
Formula: C22H32O4
Molecular Weight: 360.487914
Exact Mass: 360.23006
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) | 44 |
| 2 (CH2) | 38.8 |
| 3 (CH2) | 31.9 |
| 4 (C) | 86.3 |
| 5 (CH) | 57.7 |
| 6 (CH) | 74.6 |
| 7 (CH2) | 41.5 |
| 8 (CH) | 29.1 |
| 9 (CH2) | 31.7 |
| 10 (CH2) | 42.7 |
| 11 (CH) | 36.7 |
| 12 (CH3) | 18.5 |
| 13 (CH3) | 17.5 |
| 14 (CH3) | 22.5 |
| 15 (CH3) | 19.9 |
| 1' (C) | 128.8 |
| 2' (CH) | 132 |
| 3' (CH) | 115.4 |
| 4' (C) | 160.4 |
| 5' (CH) | 115.4 |
| 6' (CH) | 132 |
| 7' (C) | 167 |
