Spektraris NMR
5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavanone
Common Name: 5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavanone
Synonyms: 5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavanone
CAS Registry Number:
InChI: InChI=1S/C18H18O8/c1-23-14-5-8(4-10(20)17(14)24-2)12-6-9(19)15-13(26-12)7-11(21)18(25-3)16(15)22/h4-5,7,12,20-22H,6H2,1-3H3
InChIKey: InChIKey=HMTSHCGCQPCGLA-UHFFFAOYSA-N
Formula: C18H18O8
Molecular Weight: 362.331419
Exact Mass: 362.100168
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Flagg, M.L., Wachter, G.A., Davis, A.L., Montenegro, G., Timmermann, B.N. J Nat Prod (2000) 63, 1689-91
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavanones; 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) | 78.6 |
| 3 (CH2) | 42.8 |
| 4 (C) | 196.7 |
| 5 (C) | 154.6 |
| 6 (C) | 128.7 |
| 7 (C) | 158.8 |
| 8 (CH) | 94.8 |
| 9 (C) | 157.5 |
| 10 (C) | 103.2 |
| 1' (C) | 134.6 |
| 2' (CH) | 106.2 |
| 3' (C) | 149.9 |
| 4' (C) | 136 |
| 5' (C) | 152.8 |
| 6' (CH) | 102.2 |
| 6a (CH3) | 60.4 |
| 4'a (CH3) | 60.4 |
| 5'a (CH3) | 55.4 |
