Spektraris NMR
Agestricin C
Common Name: Agestricin C
Synonyms: Agestricin C
CAS Registry Number:
InChI: InChI=1S/C19H20O7/c1-22-12-6-5-10(7-14(12)23-2)13-8-11(20)17-15(26-13)9-16(24-3)18(21)19(17)25-4/h5-7,9,13,21H,8H2,1-4H3
InChIKey: InChIKey=ZHHVNFYJMNMTJL-UHFFFAOYSA-N
Formula: C19H20O7
Molecular Weight: 360.358632
Exact Mass: 360.120903
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - M. Iinuma, S. Matsuura, T. Tanaka Chem Pharm Bull (1984) 32, 1472
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) | 79.3 |
| 3 (CH2) | 45.3 |
| 4 (C) | 189.6 |
| 5 (C) | 154 |
| 6 (C) | 134 |
| 7 (C) | 157 |
| 8 (CH) | 96.2 |
| 9 (C) | 154 |
| 10 (C) | 108.5 |
| 1' (C) | 131.3 |
| 2' (CH) | 109.7 |
| 3' (C) | 149.4 |
| 4' (C) | 146.1 |
| 5' (CH) | 111.3 |
| 6' (CH) | 118.8 |
| 5a (CH3) | 56 |
| 7a (CH3) | 61.5 |
| 3'a (CH3) | 56.2 |
| 4'a (CH3) | 61.4 |
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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.