Spektraris NMR
Agestricin D
Common Name: Agestricin D
Synonyms: Agestricin D
CAS Registry Number:
InChI: InChI=1S/C18H18O7/c1-22-13-6-9(4-5-10(13)19)12-7-11(20)16-14(25-12)8-15(23-2)17(21)18(16)24-3/h4-6,8,12,19,21H,7H2,1-3H3
InChIKey: InChIKey=CRZFXGCWJNFUCY-UHFFFAOYSA-N
Formula: C18H18O7
Molecular Weight: 346.332014
Exact Mass: 346.105253
NMR Solvent: C+M
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) | 79.7 |
| 3 (CH2) | 45.5 |
| 4 (C) | 191.2 |
| 5 (C) | 155.5 |
| 6 (C) | 134.7 |
| 7 (C) | 157.6 |
| 8 (CH) | 96.6 |
| 9 (C) | 155.5 |
| 10 (C) | 108.7 |
| 1' (C) | 130.6 |
| 2' (CH) | 110 |
| 3' (C) | 147.8 |
| 4' (C) | 146.8 |
| 5' (CH) | 115.4 |
| 6' (CH) | 119.6 |
| 5a (CH3) | 56.1 |
| 7a (CH3) | 61.3 |
| 3'a (CH3) | 56.3 |
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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.