Spektraris NMR
3,8-Dimethylherbacetin
Common Name: 3,8-Dimethylherbacetin
Synonyms: 3,8-Dimethylherbacetin
CAS Registry Number:
InChI: InChI=1S/C17H14O7/c1-22-15-11(20)7-10(19)12-13(21)17(23-2)14(24-16(12)15)8-3-5-9(18)6-4-8/h3-7,18-20H,1-2H3
InChIKey: InChIKey=QEXFTGWTWYZALN-UHFFFAOYSA-N
Formula: C17H14O7
Molecular Weight: 330.289515
Exact Mass: 330.073953
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Roitman, J.N., James, L.F. Phytochemistry (1985) 24, 835-48
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) | 155.4 |
| 3 (C) | 137.5 |
| 4 (C) | 178 |
| 5 (C) | 155.9 |
| 6 (CH) | 98.8 |
| 7 (C) | 156.9 |
| 8 (C) | 127.5 |
| 9 (C) | 148.5 |
| 10 (C) | 104 |
| 1' (C) | 120.7 |
| 2' (CH) | 129.9 |
| 3' (CH) | 115.7 |
| 4' (C) | 160.2 |
| 5' (CH) | 115.7 |
| 6' (CH) | 129.9 |
| 3a (CH3) | 61 |
| 8a (CH3) | 59.6 |
Copyright © 2025
The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.