Spektraris NMR
Bitucarpin A
Common Name: Bitucarpin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H24O4/c1-13(2)5-7-16-19(24-4)10-9-17-21(16)25-12-18-15-8-6-14(23-3)11-20(15)26-22(17)18/h5-6,8-11,18,22H,7,12H2,1-4H3/t18-,22-/m0/s1
InChIKey: InChIKey=YOKYSHXYBLMBOT-AVRDEDQJSA-N
Formula: C22H24O4
Molecular Weight: 352.424388
Exact Mass: 352.167459
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Pistelli, L., Noccioli, C., Appendino, G., Bianchi, F., Sterner, O., Ballero, M. Phytochemistry (2003) 64, 595-8
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) | 129.4 |
| 2 (CH) | 105 |
| 3 (C) | 159 |
| 4 (C) | 118.1 |
| 4a (C) | 154.7 |
| 6 (CH2) | 67.4 |
| 6a (CH) | 40.3 |
| 6b (C) | 120.1 |
| 7 (CH) | 125.4 |
| 8 (CH) | 106.9 |
| 9 (C) | 161.5 |
| 10 (CH) | 97.5 |
| 10a (C) | 161.8 |
| 11a (CH) | 80 |
| 11b (C) | 113.7 |
| 1' (CH2) | 23.2 |
| 2' (CH) | 123.3 |
| 3' (C) | 132 |
| 4' (CH3) | 26.5 |
| 5' (CH3) | 18.4 |
| 3a (CH3) | 56.5 |
| 9a (CH3) | 56.2 |
