Spektraris NMR
12a-Hydroxidolineone
Common Name: 12a-Hydroxidolineone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H12O7/c20-18-10-3-9-1-2-22-12(9)5-13(10)26-17-7-23-14-6-16-15(24-8-25-16)4-11(14)19(17,18)21/h1-6,17,21H,7-8H2/t17-,19-/m0/s1
InChIKey: InChIKey=HLEAVDSSZUIWQI-HKUYNNGSSA-N
Formula: C19H12O7
Molecular Weight: 352.295106
Exact Mass: 352.058303
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Vanpuyvelde, L., Dekimpe, N., Mudaheranwa, J.P., Gasiga, A., Schamp, N., Declercq, J.P., Vanmeerssche, M. J Nat Prod (1987) 50, 349-56
Species:
Notes: Family : Flavonoids, Type : Rotenoids; 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 (CH) | 106.8 |
| 1a (C) | 109.2 |
| 2 (C) | 142.3 |
| 3 (C) | 149.5 |
| 4 (CH) | 99.9 |
| 4a (C) | 149.6 |
| 6 (CH2) | 63.9 |
| 6a (CH) | 75.9 |
| 7a (C) | 160.3 |
| 8 (CH) | 100 |
| 9 (C) | 158.3 |
| 10 (C) | 123.3 |
| 11 (CH) | 121 |
| 11a (C) | 114.3 |
| 12 (C) | 192.9 |
| 12a (C) | 68.3 |
| 1' (CH) | 105.7 |
| 2' (CH) | 146.4 |
| 2a (CH2) | 101.2 |
