Spektraris NMR
Dihydroxitoxicarol
Common Name: Dihydroxitoxicarol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H24O7/c1-23(2)6-5-11-15(30-23)8-13(24)20-21(25)19-12-7-16(26-3)17(27-4)9-14(12)28-10-18(19)29-22(11)20/h7-9,18-19,24H,5-6,10H2,1-4H3
InChIKey: InChIKey=BLEFHDAAFLYVCL-UHFFFAOYSA-N
Formula: C23H24O7
Molecular Weight: 412.433338
Exact Mass: 412.152203
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Crombie, L., Kilbee, G.W., Whiting, D.A. J Chem Soc, Perkin Trans 1 (1975) 0, 1497-9
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) | 110.3 |
| 1a (C) | 104.7 |
| 2 (C) | 143.8 |
| 3 (C) | 149.5 |
| 4 (CH) | 100.7 |
| 4a (C) | 147.3 |
| 6 (CH2) | 66.1 |
| 6a (CH) | 71.8 |
| 7a (C) | 162.2 |
| 8 (C) | 100.7 |
| 9 (C) | 163.5 |
| 10 (CH) | 97.7 |
| 11 (C) | 159 |
| 11a (C) | 100.7 |
| 12 (C) | 194.1 |
| 12a (CH) | 43.5 |
| 1' (CH2) | 16.1 |
| 2' (CH2) | 31.8 |
| 3' (C) | 76.3 |
| 4' (CH3) | 26.4 |
| 5' (CH3) | 27.1 |
| 2a (CH3) | 55 |
| 3a (CH3) | 56.3 |
