Spektraris NMR
Inophyllum A
Common Name: Inophyllum A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H24O5/c1-13-14(2)28-22-16-10-11-25(3,4)30-23(16)19-17(15-8-6-5-7-9-15)12-18(26)29-24(19)20(22)21(13)27/h5-14,21,27H,1-4H3/t13-,14+,21-/m1/s1
InChIKey: InChIKey=BXENDTPSKAICGV-HKZYLEAXSA-N
Formula: C25H24O5
Molecular Weight: 404.456
Exact Mass: 404.162374
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Patil A.D., Freyer A.J., Eggleston D.S., Haltiwanger R.C., Bean M.F., Taylor P.B., Caranfa M.J., Breen A.L., Bartus H.R., Johnson R.K., Hertzberg R.P., Westley J.W. J Med Chem (1993) 36, 4131
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 |
| 3 (CH) | 111.4 |
| 4 (C) | 156.2 |
| 5 (C) | 154 |
| 6 (C) | 105.5 |
| 7 (C) | 152.5 |
| 8 (C) | 106.3 |
| 9 (C) | 150.9 |
| 10 (C) | 103.1 |
| 1' (C) | 139.9 |
| 2' (CH) | 127.2 |
| 3' (CH) | 127.2 |
| 4' (CH) | 127.5 |
| 5' (CH) | 127.2 |
| 6' (CH) | 127.2 |
| 6a (CH) | 115.9 |
| 6b (CH) | 127.1 |
| 6c (C) | 76.8 |
| 6d (CH3) | 26.7 |
| 6ca (CH3) | 26.7 |
| 8a (CH) | 62.6 |
| 8b (CH) | 35.5 |
| 8c (CH) | 75.7 |
| 8d (CH3) | 16 |
| 8ba (CH3) | 9.7 |
