Spektraris NMR
Umbelliprenin
Common Name: Umbelliprenin
Synonyms: Umbelliprenin
CAS Registry Number:
InChI: InChI=1S/C24H30O3/c1-18(2)7-5-8-19(3)9-6-10-20(4)15-16-26-22-13-11-21-12-14-24(25)27-23(21)17-22/h7,9,11-15,17H,5-6,8,10,16H2,1-4H3/b19-9+,20-15+
InChIKey: InChIKey=GNMUGVNEWCZUAA-WOWYBKFKSA-N
Formula: C24H30O3
Molecular Weight: 366.494099
Exact Mass: 366.219495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Appendino, G., Tagliapietra, S., Nano, G.M., Jakupovic, J. Phytochemistry (1994) 35, 183-6
Species:
Notes: Family : Chromans, Type : Coumarins, Group : Coumarins; 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) | 161.3 |
| 3 (CH) | 112.9 |
| 4 (CH) | 143.4 |
| 5 (CH) | 128.6 |
| 6 (CH) | 113.1 |
| 7 (C) | 162 |
| 8 (CH) | 101.4 |
| 9 (C) | 155.8 |
| 10 (C) | 112.4 |
| 7a (CH2) | 65.4 |
| 7b (CH) | 118.4 |
| 7c (C) | 142.8 |
| 7d (CH2) | 39.4 |
| 7e (CH2) | 26.1 |
| 7f (CH) | 122.1 |
| 7g (C) | 133.5 |
| 7h (CH2) | 39.6 |
| 7i (CH2) | 26.6 |
| 7j (CH) | 123.4 |
| 7k (C) | 131.2 |
| 7l (CH3) | 25.1 |
| 7m (CH3) | 17.6 |
| 7ca (CH3) | 15.9 |
| 7ga (CH3) | 16.7 |
