Spektraris NMR
Inophyllum G-1
Common Name: Inophyllum G-1
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H24O5/c1-11-12(2)28-23-17-19-24(25(19,3)4)30-21(17)16-14(13-8-6-5-7-9-13)10-15(26)29-22(16)18(23)20(11)27/h5-12,19-20,24,27H,1-4H3/t11-,12+,19?,20-,24?/m1/s1
InChIKey: InChIKey=NDJILOHYAHLIPO-BFCNHIQFSA-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) | 160.5 |
| 3 (CH) | 111.2 |
| 4 (C) | 155 |
| 5 (C) | 158.4 |
| 6 (C) | 112 |
| 7 (C) | 153.4 |
| 8 (C) | 106.1 |
| 9 (C) | 153.2 |
| 10 (C) | 99 |
| 1' (C) | 137.6 |
| 2' (CH) | 127.7 |
| 3' (CH) | 127.7 |
| 4' (CH) | 127.8 |
| 5' (CH) | 127.7 |
| 6' (CH) | 127.7 |
| 6a (CH) | 29.4 |
| 6b (CH) | 72.9 |
| 6c (C) | 22.5 |
| 6d (CH3) | 13 |
| 6ca (CH3) | 12.7 |
| 8a (CH) | 62.7 |
| 8b (CH) | 35.6 |
| 8c (CH) | 75.9 |
| 8d (CH3) | 15.9 |
| 8ba (CH3) | 10.5 |
