Spektraris NMR
8R,9H-8,9-Dihydro-8-hydroxy-9-oxoferutinin
Common Name: 8R,9H-8,9-Dihydro-8-hydroxy-9-oxoferutinin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O6/c1-13(2)22(27)10-9-20(3)12-17(24)21(4,26)11-16(18(20)22)28-19(25)14-5-7-15(23)8-6-14/h5-8,13,16,18,23,26-27H,9-12H2,1-4H3/t16-,18+,20+,21+,22+/m0/s1
InChIKey: InChIKey=SDXQLRZOKZYCOX-QXPVWKFPSA-N
Formula: C22H30O6
Molecular Weight: 390.470842
Exact Mass: 390.204239
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) | 42 |
| 2 (CH2) | 48.7 |
| 3 (CH2) | 31.7 |
| 4 (C) | 84.4 |
| 5 (CH) | 50.9 |
| 6 (CH) | 69.7 |
| 7 (CH2) | 40.7 |
| 8 (C) | 77.4 |
| 9 (C) | 213.4 |
| 10 (CH2) | 40.2 |
| 11 (CH) | 36.6 |
| 12 (CH3) | 18.1 |
| 13 (CH3) | 17.2 |
| 14 (CH3) | 27.9 |
| 15 (CH3) | 23.1 |
| 1' (C) | 121.7 |
| 2' (CH) | 132.1 |
| 3' (CH) | 115.3 |
| 4' (C) | 160.8 |
| 5' (CH) | 115.3 |
| 6' (CH) | 132.1 |
| 7' (C) | 167 |
