Spektraris NMR
Licofuranocoumarin
Common Name: Licofuranocoumarin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H20O7/c1-21(2,25)18-8-14-16(27-18)9-17-13(19(14)26-3)7-12(20(24)28-17)11-5-4-10(22)6-15(11)23/h4-7,9,18,22-23,25H,8H2,1-3H3
InChIKey: InChIKey=GAUFLNQQCSXBPK-UHFFFAOYSA-N
Formula: C21H20O7
Molecular Weight: 384.380103
Exact Mass: 384.120903
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Hatano, T., Aga, Y., Shintani, Y., Ito, H., Okuda, T., Yoshida, T. Phytochemistry (2000) 55, 959-63
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) | 162.2 |
| 3 (C) | 121 |
| 4 (CH) | 138.3 |
| 5 (C) | 153.4 |
| 6 (C) | 112.2 |
| 7 (C) | 166 |
| 8 (CH) | 92.2 |
| 9 (C) | 156.4 |
| 10 (C) | 107 |
| 1' (C) | 115.7 |
| 2' (C) | 157.1 |
| 3' (CH) | 104.5 |
| 4' (C) | 159.7 |
| 5' (CH) | 108.2 |
| 6' (CH) | 132.6 |
| 2'' (CH) | 91.8 |
| 3'' (CH2) | 29.5 |
| 4'' (C) | 71.4 |
| 5'' (CH3) | 25.4 |
| 6'' (CH3) | 26 |
| 5a (CH3) | 59.9 |
