Spektraris NMR
8,9-Dihydro-8,14-dehydro-9-hydroxyferutinin
Common Name: 8,9-Dihydro-8,14-dehydro-9-hydroxyferutinin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O5/c1-13(2)22(26)10-9-21(4)12-17(24)14(3)11-18(19(21)22)27-20(25)15-5-7-16(23)8-6-15/h5-8,13,17-19,23-24,26H,3,9-12H2,1-2,4H3/t17-,18-,19+,21+,22+/m0/s1
InChIKey: InChIKey=KZSXMCLSPHIQCN-JIWOIOHBSA-N
Formula: C22H30O5
Molecular Weight: 374.471437
Exact Mass: 374.209324
NMR Solvent: CD3OD
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) | 52.8 |
| 2 (CH2) | 43.4 |
| 3 (CH2) | 32.1 |
| 4 (C) | 85.7 |
| 5 (CH) | 55.3 |
| 6 (CH) | 72.7 |
| 7 (CH2) | 42.5 |
| 8 (C) | 149.6 |
| 9 (CH) | 72.2 |
| 10 (CH2) | 39.3 |
| 11 (CH) | 36.5 |
| 12 (CH3) | 18.4 |
| 13 (CH3) | 17.5 |
| 14 (CH2) | 112.2 |
| 15 (CH3) | 20.8 |
| 1' (C) | 122.8 |
| 2' (CH) | 131.9 |
| 3' (CH) | 115.6 |
| 4' (C) | 162.1 |
| 5' (CH) | 115.6 |
| 6' (CH) | 131.9 |
| 7' (C) | 165.8 |
