Spektraris NMR
12-Methoxyinophyllum P
Common Name: 12-Methoxyinophyllum P
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H26O5/c1-14-15(2)29-23-17-11-12-26(3,4)31-24(17)20-18(16-9-7-6-8-10-16)13-19(27)30-25(20)21(23)22(14)28-5/h6-15,22H,1-5H3/t14-,15-,22-/m0/s1
InChIKey: InChIKey=STOSFQGFUXQJCN-DFFLPILJSA-N
Formula: C26H26O5
Molecular Weight: 418.482618
Exact Mass: 418.178024
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cao S.G., Sim K.Y., Goh S.H. Heterocycles (1997) 45, 2045
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) | 111.7 |
| 4 (C) | 156.2 |
| 5 (C) | 151.2 |
| 6 (C) | 106.1 |
| 7 (C) | 153.7 |
| 8 (C) | 104.5 |
| 9 (C) | 153.8 |
| 10 (C) | 102.7 |
| 1' (C) | 140.2 |
| 2' (CH) | 127.5 |
| 3' (CH) | 127.4 |
| 4' (CH) | 127.4 |
| 5' (CH) | 127.4 |
| 6' (CH) | 127.5 |
| 6a (CH) | 116.1 |
| 6b (CH) | 127.4 |
| 6c (C) | 77.1 |
| 6d (CH3) | 26.9 |
| 6ca (CH3) | 26.9 |
| 8a (CH) | 73.5 |
| 8b (CH) | 38.6 |
| 8c (CH) | 70.8 |
| 8d (CH3) | 19.1 |
| 8aa (CH3) | 59.4 |
| 8ba (CH3) | 13.3 |
