Spektraris NMR
Phellodensin
Common Name: Phellodensin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H20O7/c1-20(2,25)14-7-11-13(26-14)8-12(22)15-16(23)17(24)18(27-19(11)15)9-3-5-10(21)6-4-9/h3-6,8,14,17-18,21-22,24-25H,7H2,1-2H3/t14-,17-,18+/m0/s1
InChIKey: InChIKey=LFOTZGWNITYXGY-JCGIZDLHSA-N
Formula: C20H20O7
Molecular Weight: 372.369368
Exact Mass: 372.120903
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) | 84 |
| 3 (CH) | 73 |
| 4 (C) | 197.8 |
| 5 (C) | 165.6 |
| 6 (CH) | 91.7 |
| 7 (C) | 170.3 |
| 8 (C) | 106.8 |
| 9 (C) | 158 |
| 10 (C) | 109.4 |
| 1' (C) | 129 |
| 2' (CH) | 130.2 |
| 3' (CH) | 115.9 |
| 4' (C) | 158.9 |
| 5' (CH) | 115.9 |
| 6' (CH) | 130.2 |
| 8a (CH2) | 26.9 |
| 8b (CH) | 92.8 |
| 8c (C) | 71.3 |
| 8d (CH3) | 25.6 |
| 8e (CH3) | 25.7 |
