Spektraris NMR
7-Methoxypraecansone B
Common Name: 7-Methoxypraecansone B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H24O5/c1-23(2)12-11-16-19(28-23)14-20(26-4)21(22(16)27-5)17(24)13-18(25-3)15-9-7-6-8-10-15/h6-14H,1-5H3/b18-13-
InChIKey: InChIKey=KLIBVTLWIJEYNK-AQTBWJFISA-N
Formula: C23H24O5
Molecular Weight: 380.434528
Exact Mass: 380.162374
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Carcache-Blanco, E.J., Kang, Y.H., Park, E.J., Su, B.N., Kardono, L.B., Riswan, S., Fong, H.H., Pezzuto, J.M., Kinghorn, A.D. J Nat Prod (2003) 66, 1197-202
Species:
Notes: Family : Flavonoids, Type : Chalconoids; 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 (C) | 134.8 |
| 2 (CH) | 128.7 |
| 3 (CH) | 127.2 |
| 4 (CH) | 129.4 |
| 5 (CH) | 127.2 |
| 6 (CH) | 128.7 |
| α (CH) | 105.7 |
| β (C) | 171.6 |
| 1' (C) | 118.8 |
| 2' (C) | 153.8 |
| 3' (C) | 107.7 |
| 4' (C) | 155.3 |
| 5' (CH) | 95.7 |
| 6' (C) | 157 |
| β' (C) | 192.5 |
| 2'' (C) | 76.5 |
| 3'' (CH) | 127.3 |
| 4'' (CH) | 116.6 |
| 5'' (CH3) | 27.9 |
| 6'' (CH3) | 27.9 |
| 1''' (CH3) | 63.3 |
| 2'a (CH3) | 56.5 |
| 6'a (CH3) | 55.6 |
