Spektraris NMR
Chrysosplenol C (4',5,6,-trihydroxy-3,3',7-trimethoxyflavone)
Common Name: Chrysosplenol C (4',5,6,-trihydroxy-3,3',7-trimethoxyflavone)
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H16O8/c1-23-10-6-8(4-5-9(10)19)17-18(25-3)16(22)13-11(26-17)7-12(24-2)14(20)15(13)21/h4-7,19-21H,1-3H3
InChIKey: InChIKey=QQBSPLCHDUCBNM-UHFFFAOYSA-N
Formula: C18H16O8
Molecular Weight: 360.315538
Exact Mass: 360.084517
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Huong do, T., Kamperdick, C., Sung, T.V. J Nat Prod (2004) 67, 445-7
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavonols; 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 (C) | 155.5 |
| 3 (C) | 137.6 |
| 4 (C) | 178.1 |
| 5 (C) | 145.6 |
| 6 (C) | 129.6 |
| 7 (C) | 154.5 |
| 8 (CH) | 91 |
| 9 (C) | 148.8 |
| 10 (C) | 105.5 |
| 1' (C) | 121 |
| 2' (CH) | 112 |
| 3' (C) | 147.5 |
| 4' (C) | 149.7 |
| 5' (CH) | 115.6 |
| 6' (CH) | 122.6 |
| 3a (CH3) | 59.7 |
| 7a (CH3) | 56.3 |
| 3'a (CH3) | 55.8 |
