Spektraris NMR
Agestricin B
Common Name: Agestricin B
Synonyms: Agestricin B
CAS Registry Number:
InChI: InChI=1S/C18H16O7/c1-21-15-7-14-16(18(22-2)17(15)20)10(19)6-12(25-14)9-3-4-11-13(5-9)24-8-23-11/h3-5,7,12,20H,6,8H2,1-2H3
InChIKey: InChIKey=BGVWSIXPZPCSLV-UHFFFAOYSA-N
Formula: C18H16O7
Molecular Weight: 344.316133
Exact Mass: 344.089603
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) | 79.4 |
| 3 (CH2) | 45.6 |
| 4 (C) | 190.6 |
| 5 (C) | 155.3 |
| 6 (C) | 134.7 |
| 7 (C) | 157.3 |
| 8 (CH) | 96.5 |
| 9 (C) | 155.3 |
| 10 (C) | 108.6 |
| 1' (C) | 132.8 |
| 2' (CH) | 108.5 |
| 3' (C) | 148.2 |
| 4' (C) | 146.6 |
| 5' (CH) | 106.9 |
| 6' (CH) | 120.2 |
| 5a (CH3) | 56.3 |
| 7a (CH3) | 61.4 |
| 3'a (CH2) | 101.5 |
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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.