Spektraris NMR
Pervilleanine
Common Name: Pervilleanine
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H18O6/c1-22(2)7-6-12-8-13-9-15(21(23)27-17(13)10-18(12)28-22)14-4-5-16-20(19(14)24-3)26-11-25-16/h4-10H,11H2,1-3H3
InChIKey: InChIKey=TXZAKQXZHMDDJE-UHFFFAOYSA-N
Formula: C22H18O6
Molecular Weight: 378.375553
Exact Mass: 378.110338
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Palazzino, G., Rasoanaivo, P., Federici, E., Nicoletti, M., Galeffi, C. Phytochemistry (2003) 63, 471-4
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) | 163.6 |
| 3 (C) | 125.9 |
| 4 (CH) | 111.4 |
| 5 (CH) | 124.7 |
| 6 (C) | 108.8 |
| 7 (C) | 147.5 |
| 8 (CH) | 108.2 |
| 9 (C) | 156.2 |
| 10 (C) | 108.1 |
| 1' (C) | 110.9 |
| 2' (C) | 148.4 |
| 3' (C) | 132.5 |
| 4' (C) | 147.6 |
| 5' (CH) | 113.1 |
| 6' (CH) | 123.8 |
| 2'' (C) | 77.4 |
| 3'' (CH) | 130.3 |
| 4'' (CH) | 115.4 |
| 5'' (CH3) | 28 |
| 6'' (CH3) | 28 |
| 2'a (CH3) | 60.9 |
| 3'a (CH2) | 101.2 |
