Spektraris NMR
Phellodensin-A
Common Name: Phellodensin-A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H18O6/c1-9(2)14-7-12-15(25-14)8-13(22)16-17(23)18(24)19(26-20(12)16)10-3-5-11(21)6-4-10/h3-6,8,14,18-19,21-22,24H,1,7H2,2H3/t14-,18+,19-/m1/s1
InChIKey: InChIKey=BXJXKUVJTJKXQK-MDASCCDHSA-N
Formula: C20H18O6
Molecular Weight: 354.354081
Exact Mass: 354.110338
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Wu, T.S., Hsu, M.Y., Kuo, P.C., Sreenivasulu, B., Damu, A.G., Su, C.R., Li, C.Y., Chang, H.C. J Nat Prod (2003) 66, 1207-11
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavanonols; 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 |
|---|---|
| 2 (CH) | 83.7 |
| 3 (CH) | 72.6 |
| 4 (C) | 198 |
| 5 (C) | 162.5 |
| 6 (CH) | 96.9 |
| 7 (C) | 166.1 |
| 8 (C) | 105.6 |
| 9 (C) | 160.8 |
| 10 (C) | 100.9 |
| 1' (C) | 128.6 |
| 2' (CH) | 129.5 |
| 3' (CH) | 115.2 |
| 4' (C) | 158.1 |
| 5' (CH) | 115.2 |
| 6' (CH) | 129.5 |
| 8a (CH2) | 29.1 |
| 8b (CH) | 75.5 |
| 8c (C) | 147.4 |
| 8d (CH3) | 17.6 |
| 8e (CH2) | 109.5 |
