Spektraris NMR
Bitucarpin B
Common Name: Bitucarpin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H20O5/c1-10(2)3-4-11-15(21)6-5-12-19(11)24-9-14-13-7-16(22)17(23)8-18(13)25-20(12)14/h3,5-8,14,20-23H,4,9H2,1-2H3/t14-,20-/m0/s1
InChIKey: InChIKey=JCVINYPLRARDTP-XOBRGWDASA-N
Formula: C20H20O5
Molecular Weight: 340.370558
Exact Mass: 340.131074
NMR Solvent: CD3OD
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) | 130 |
| 2 (CH) | 110.2 |
| 3 (C) | 157.8 |
| 4 (C) | 117.5 |
| 4a (C) | 155.9 |
| 6 (CH2) | 68.1 |
| 6a (CH) | 41.3 |
| 6b (C) | 119.4 |
| 7 (CH) | 128.2 |
| 8 (C) | 119.6 |
| 9 (C) | 157.5 |
| 10 (CH) | 98.9 |
| 10a (C) | 160.5 |
| 11a (CH) | 80.7 |
| 11b (C) | 113.3 |
| 1' (CH2) | 23.3 |
| 2' (CH) | 124.4 |
| 3' (C) | 131.7 |
| 4' (CH3) | 26.1 |
| 5' (CH3) | 18.1 |
