Spektraris NMR
Common Name:
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H18O5/c1-9-16(21)15-13(20)8-14(11-6-4-5-7-12(11)19)23-18(15)10(2)17(9)22-3/h4-7,14,19,21H,8H2,1-3H3
InChIKey: InChIKey=GWBDYOUBVVHJOU-UHFFFAOYSA-N
Formula: C18H18O5
Molecular Weight: 314.333204
Exact Mass: 314.115424
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - C.D. Hufford, B.O. Oguntimein, J.K. Bake J Org Chem (1981) 46, 3073
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) | 75.4 |
| 3 (CH2) | 42.8 |
| 4 (C) | 199.1 |
| 5 (C) | 160.1 |
| 6 (C) | 111.3 |
| 7 (C) | 166.1 |
| 8 (C) | 110.1 |
| 9 (C) | 159.2 |
| 10 (C) | 105.6 |
| 1' (C) | 126.6 |
| 2' (C) | 154.8 |
| 3' (CH) | 116.4 |
| 4' (CH) | 130 |
| 5' (CH) | 120.7 |
| 6' (CH) | 127.3 |
| 6a (CH3) | 8 |
| 7a (CH3) | 60.4 |
| 8a (CH3) | 8.6 |
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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.