Spektraris NMR
(-)-6-Benzoyl-5-hydroxy-4-phenylcolumbianelin
Common Name: (-)-6-Benzoyl-5-hydroxy-4-phenylcolumbianelin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H22O6/c1-27(2,31)19-13-18-25-21(17(14-20(28)33-25)15-9-5-3-6-10-15)24(30)22(26(18)32-19)23(29)16-11-7-4-8-12-16/h3-12,14,19,30-31H,13H2,1-2H3/t19-/m0/s1
InChIKey: InChIKey=FEMNTWKYGRVHIB-IBGZPJMESA-N
Formula: C27H22O6
Molecular Weight: 442.460995
Exact Mass: 442.141638
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cao S.G., Wu X.H., Sim K.Y., Tan B.H.K., Vittal J.J. Helv Chim Acta (1998) 81, 1404
Species:
Notes: Family : Flavonoids, Type : Neoflavonoids; 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 |
|---|---|
| 2 (C) | 160 |
| 3 (CH) | 112.4 |
| 4 (C) | 156.2 |
| 5 (C) | 163.5 |
| 6 (C) | 102.9 |
| 7 (C) | 163.7 |
| 8 (C) | 105.8 |
| 9 (C) | 156.3 |
| 10 (C) | 102.5 |
| 1' (C) | 139 |
| 2' (CH) | 127.3 |
| 3' (CH) | 128 |
| 4' (CH) | 128.4 |
| 5' (CH) | 128 |
| 6' (CH) | 127.3 |
| 6a (C) | 199.1 |
| 6b (C) | 139 |
| 6c (CH) | 127.3 |
| 6d (CH) | 128 |
| 6e (CH) | 128.4 |
| 6f (CH) | 128 |
| 6g (CH) | 127.3 |
| 8a (CH2) | 27 |
| 8b (CH) | 92.8 |
| 8c (C) | 71.3 |
| 8d (CH3) | 23.9 |
| 8ca (CH3) | 23.9 |
