Spektraris NMR
Vismiaguianone E
Common Name: Vismiaguianone E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H24O5/c1-16(2)13-14-19-25(30)22-20(17-9-5-3-6-10-17)15-21(28)32-27(22)23(26(19)31)24(29)18-11-7-4-8-12-18/h3-13,20,30-31H,14-15H2,1-2H3
InChIKey: InChIKey=BKIBEPYJFMPNLS-UHFFFAOYSA-N
Formula: C27H24O5
Molecular Weight: 428.477472
Exact Mass: 428.162374
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Seo, E.K., Wani, M.C., Wall, M.E., Navarro, H., Mukherjee, R., Farnsworth, N.R., Kinghorn, A.D. Phytochemistry (2000) 55, 35-42
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) | 165 |
| 3 (CH2) | 36.9 |
| 4 (CH) | 34.8 |
| 5 (C) | 151.2 |
| 6 (C) | 137.6 |
| 7 (C) | 160.9 |
| 8 (C) | 109.8 |
| 9 (C) | 158.3 |
| 10 (C) | 104.8 |
| 1' (C) | 140.6 |
| 2' (CH) | 126.7 |
| 3' (CH) | 129 |
| 4' (CH) | 127.5 |
| 5' (CH) | 129 |
| 6' (CH) | 126.7 |
| 6a (CH2) | 22.1 |
| 6b (CH) | 120.6 |
| 6c (C) | 137.6 |
| 6d (CH3) | 18 |
| 6ac (CH3) | 25.8 |
| 8a (C) | 198.8 |
| 8b (C) | 141 |
| 8c (CH) | 128 |
| 8d (CH) | 128.1 |
| 8e (CH) | 132 |
| 8f (CH) | 128.1 |
| 8g (CH) | 128 |
