Spektraris NMR
Dinklagin A
Common Name: Dinklagin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H26O4/c1-15(2)5-6-16-12-19-21(27)14-23(28-24(19)13-20(16)26)17-7-8-22-18(11-17)9-10-25(3,4)29-22/h5,7-13,23,26H,6,14H2,1-4H3/t23-/m0/s1
InChIKey: InChIKey=XPMXYEFQBQWMEC-QHCPKHFHSA-N
Formula: C25H26O4
Molecular Weight: 390.472477
Exact Mass: 390.183109
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ngadjui B.T., Dongo E., Abegaz B.M., Fotso S., Tamboue H. Phytochemistry (2002) 61, 99-104
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavanones; 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 (CH) | 80.1 |
| 3 (CH2) | 44.5 |
| 4 (C) | 191.6 |
| 5 (CH) | 128.8 |
| 6 (C) | 122.2 |
| 7 (C) | 162.1 |
| 8 (CH) | 104.1 |
| 9 (C) | 162.6 |
| 10 (C) | 115.2 |
| 1' (C) | 131.3 |
| 2' (CH) | 124.8 |
| 3' (C) | 121.8 |
| 4' (C) | 153.8 |
| 5' (CH) | 116.9 |
| 6' (CH) | 127.6 |
| 6a (CH2) | 29.4 |
| 6b (CH) | 121.6 |
| 6c (C) | 136 |
| 6d (CH3) | 26.2 |
| 6ca (CH3) | 18.3 |
| 3'a (CH) | 122.4 |
| 3'b (CH) | 131.7 |
| 3'c (C) | 77.6 |
| 3'd (CH3) | 28.5 |
| 3'e (CH3) | 28.5 |
