Spektraris NMR
Common Name:
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H14O7/c1-10(20)26-11-3-4-12-16(5-11)23-8-14(19(12)21)13-6-17-18(25-9-24-17)7-15(13)22-2/h3-8H,9H2,1-2H3
InChIKey: InChIKey=BTQUVUVHHNBVMW-UHFFFAOYSA-N
Formula: C19H14O7
Molecular Weight: 354.310987
Exact Mass: 354.073953
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Rao, E.V., Murthy, M.S.R., Ward, R.S. Phytochemistry (1984) 23, 1493-501
Species:
Notes: Family : Flavonoids, Type : Isoflavonoids, Group : Isoflavones; 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) | 154.3 |
| 3 (C) | 122 |
| 4 (C) | 175 |
| 5 (CH) | 127.2 |
| 6 (CH) | 119.4 |
| 7 (C) | 156.4 |
| 8 (CH) | 111 |
| 9 (C) | 154.9 |
| 10 (C) | 122 |
| 1' (C) | 112.2 |
| 2' (C) | 152.8 |
| 3' (CH) | 95.3 |
| 4' (C) | 148.3 |
| 5' (C) | 140.9 |
| 6' (CH) | 110.9 |
| 7a (C) | 168.3 |
| 7b (CH3) | 21 |
| 2'a (CH3) | 56.5 |
| 4'a (CH2) | 100.9 |
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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.