Spektraris NMR
Vismiaguianin A
Common Name: Vismiaguianin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H18O5/c1-10-7-11-8-12(23-4)9-14(21)16(11)18-15(10)17-13(19(22)24-18)5-6-20(2,3)25-17/h5-9,21H,1-4H3
InChIKey: InChIKey=OGTVKOGEJPVHQE-UHFFFAOYSA-N
Formula: C20H18O5
Molecular Weight: 338.354676
Exact Mass: 338.115424
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 : Chromans, Type : Coumarins, Group : Pyranocoumarins; 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) | 163.2 |
| 3 (C) | 98.5 |
| 4 (C) | 158.8 |
| 5 (C) | 132.9 |
| 6 (CH) | 126 |
| 7 (C) | 137.9 |
| 8 (C) | 107.1 |
| 9 (C) | 153.8 |
| 10 (C) | 108.4 |
| 3a (CH) | 117.3 |
| 3b (CH) | 125.1 |
| 3c (C) | 81.1 |
| 3d (CH3) | 28.8 |
| 3e (CH3) | 28.8 |
| 5a (CH3) | 24.2 |
| 7a (CH) | 99.5 |
| 7b (C) | 161.8 |
| 7c (CH) | 103.3 |
| 7d (C) | 156.1 |
| 7ba (CH3) | 55.8 |
