Spektraris NMR
Brasimarin C
Common Name: Brasimarin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H24O5/c1-13(2)10-11-17-23(28)20-18(16-8-6-5-7-9-16)12-19(26)30-25(20)21-22(27)14(3)15(4)29-24(17)21/h5-10,12,14-15,28H,11H2,1-4H3/t14-,15-/m1/s1
InChIKey: InChIKey=ZJXOEBUGDGYYOO-HUUCEWRRSA-N
Formula: C25H24O5
Molecular Weight: 404.456
Exact Mass: 404.162374
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ito, C., Itoigawa, M., Mishina, Y., Filho, V.C., Enjo, F., Tokuda, H., Nishino, H., Furukawa, H. J Nat Prod (2003) 66, 368-71
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) | 159.2 |
| 3 (CH) | 113.8 |
| 4 (C) | 152.8 |
| 5 (C) | 156.5 |
| 6 (C) | 112.4 |
| 7 (C) | 162.8 |
| 8 (C) | 103.9 |
| 9 (C) | 153.9 |
| 10 (C) | 102.8 |
| 1' (C) | 136.4 |
| 2' (CH) | 127.6 |
| 3' (CH) | 129.7 |
| 4' (CH) | 130.3 |
| 5' (CH) | 129.7 |
| 6' (CH) | 127.6 |
| 6a (CH2) | 21.9 |
| 6b (CH) | 120.9 |
| 6c (C) | 133.4 |
| 6d (CH3) | 17.9 |
| 6e (CH3) | 25.7 |
| 8a (C) | 190.5 |
| 8b (CH) | 47.2 |
| 8c (CH) | 79.5 |
| 8d (CH3) | 10.6 |
| 8e (CH3) | 19.6 |
