Spektraris NMR
Thymonin
Common Name: Thymonin
Synonyms: Thymonin
CAS Registry Number:
InChI: InChI=1S/C18H16O8/c1-23-12-6-8(4-5-9(12)19)11-7-10(20)13-14(21)15(22)17(24-2)18(25-3)16(13)26-11/h4-7,19,21-22H,1-3H3
InChIKey: InChIKey=BAIRXMVFPKLWSE-UHFFFAOYSA-N
Formula: C18H16O8
Molecular Weight: 360.315538
Exact Mass: 360.084517
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Vandenbroucke, C.O., Dommisse, R.A., Esmans, E.L., Lemli, J.A. Phytochemistry (1982) 21, 2581-3
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavones; 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) | 163.7 |
| 3 (CH) | 102.7 |
| 4 (C) | 182.5 |
| 5 (C) | 152.5 |
| 6 (C) | 132.8 |
| 7 (C) | 141.8 |
| 8 (C) | 134.1 |
| 9 (C) | 143 |
| 10 (C) | 106.1 |
| 1' (C) | 121.6 |
| 2' (CH) | 109.9 |
| 3' (C) | 148 |
| 4' (C) | 150.8 |
| 5' (CH) | 115.9 |
| 6' (CH) | 120.2 |
| 7a (CH3) | 60.9 |
| 8a (CH3) | 61.8 |
| 3'a (CH3) | 55.8 |
