Spektraris NMR
3-Methylherbacetin
Common Name: 3-Methylherbacetin
Synonyms: 3-Methylherbacetin
CAS Registry Number:
InChI: InChI=1S/C16H12O7/c1-22-16-13(21)11-9(18)6-10(19)12(20)15(11)23-14(16)7-2-4-8(17)5-3-7/h2-6,17-20H,1H3
InChIKey: InChIKey=GEZRDCGMQPFDMN-UHFFFAOYSA-N
Formula: C16H12O7
Molecular Weight: 316.262898
Exact Mass: 316.058303
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) | 155.3 |
| 3 (C) | 137.3 |
| 4 (C) | 178.1 |
| 5 (C) | 152.7 |
| 6 (CH) | 98.4 |
| 7 (C) | 153.1 |
| 8 (C) | 124.8 |
| 9 (C) | 144.8 |
| 10 (C) | 103.9 |
| 1' (C) | 120.8 |
| 2' (CH) | 130.2 |
| 3' (CH) | 115.5 |
| 4' (C) | 160.1 |
| 5' (CH) | 115.5 |
| 6' (CH) | 130.2 |
| 3a (CH3) | 59.6 |
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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.