Spektraris NMR
Vismiaguianin B
Common Name: Vismiaguianin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H20O6/c1-9-5-10-6-11(24-4)7-13(21)16(10)18-15(9)17-12(19(22)26-18)8-14(25-17)20(2,3)23/h5-7,14,21,23H,8H2,1-4H3
InChIKey: InChIKey=ODUQIJIFQQMYFS-UHFFFAOYSA-N
Formula: C20H20O6
Molecular Weight: 356.369963
Exact Mass: 356.125988
NMR Solvent: C5D5N
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 : Chromans, Type : Coumarins, Group : Furocoumarins; 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) | 169.3 |
| 3 (C) | 100.4 |
| 4 (C) | 158.9 |
| 5 (C) | 132.2 |
| 6 (CH) | 124.6 |
| 7 (C) | 138.6 |
| 8 (C) | 108 |
| 9 (C) | 155.3 |
| 10 (C) | 106.3 |
| 3a (CH2) | 27.1 |
| 3b (CH) | 93.3 |
| 3c (C) | 70.6 |
| 3d (CH3) | 25.9 |
| 3e (CH3) | 26.1 |
| 5a (CH3) | 21.8 |
| 7a (CH) | 99.3 |
| 7b (C) | 161.5 |
| 7c (CH) | 103.2 |
| 7d (C) | 157 |
| 7ba (CH3) | 55.4 |
