Spektraris NMR
Orientanol B
Common Name: Orientanol B
Synonyms: Orientanol B
CAS Registry Number:
InChI: InChI=1S/C21H22O4/c1-12(2)4-5-13-8-16-19(10-18(13)23-3)24-11-17-15-7-6-14(22)9-20(15)25-21(16)17/h4,6-10,17,21-22H,5,11H2,1-3H3/t17-,21-/m0/s1
InChIKey: InChIKey=FZFGGNNUYSILSL-UWJYYQICSA-N
Formula: C21H22O4
Molecular Weight: 338.39777
Exact Mass: 338.151809
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - McKee, T.C., Bokesch, H.R., McCormick, J.L., Rashid, M.A., Spielvogel, D., Gustafson, K.R., Alavanja, M.M., Cardelline, J.H., 2nd, Boyd, M.R. J Nat Prod (1997) 60, 431-8
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) | 132.1 |
| 2 (C) | 124.8 |
| 3 (C) | 159.9 |
| 4 (CH) | 100 |
| 4a (C) | 156.2 |
| 6 (CH2) | 67.7 |
| 6a (CH) | 40.9 |
| 6b (C) | 119.5 |
| 7 (CH) | 126 |
| 8 (CH) | 108.6 |
| 9 (C) | 159.8 |
| 10 (CH) | 98.8 |
| 10a (C) | 161.9 |
| 11a (CH) | 79.9 |
| 11b (C) | 112.9 |
| 1' (CH2) | 28.7 |
| 2' (CH) | 123.9 |
| 3' (C) | 133 |
| 4' (CH3) | 17.8 |
| 5' (CH3) | 26 |
| 3a (CH3) | 55.9 |
