Spektraris NMR
Pervilline
Common Name: Pervilline
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H20O5/c1-10(2)16-7-11-6-13-18(8-17(11)25-16)24-9-14-12-4-5-15(23-3)19(22)21(12)26-20(13)14/h4-6,8,14,16,20,22H,1,7,9H2,2-3H3/t14-,16?,20-/m0/s1
InChIKey: InChIKey=IJYFCLZEBZPQIZ-VXCCZKMHSA-N
Formula: C21H20O5
Molecular Weight: 352.381294
Exact Mass: 352.131074
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 : Flavonoids, Type : Pterocarpanoids; 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 |
|---|---|
| 1 (CH) | 126.8 |
| 2 (C) | 120.7 |
| 3 (C) | 161.2 |
| 4 (CH) | 98.1 |
| 4a (C) | 156 |
| 6 (CH2) | 66.5 |
| 6a (CH) | 40.1 |
| 6b (C) | 121.7 |
| 7 (CH) | 114.7 |
| 8 (CH) | 103.6 |
| 9 (C) | 148 |
| 10 (C) | 130.6 |
| 10a (C) | 146.1 |
| 11a (CH) | 79.8 |
| 11b (C) | 111.7 |
| 1' (CH2) | 33.8 |
| 2' (CH) | 86.6 |
| 3' (C) | 143.8 |
| 4' (CH3) | 17.1 |
| 5' (CH2) | 112.1 |
| 9a (CH3) | 56.4 |
