Spektraris NMR
Pongacoumestan
Common Name: Pongacoumestan
Synonyms: Pongacoumestan
CAS Registry Number:
InChI: InChI=1S/C16H10O6/c1-20-15-10(18)5-4-9-13-12(16(19)22-14(9)15)8-3-2-7(17)6-11(8)21-13/h2-6,17-18H,1H3
InChIKey: InChIKey=GGODGVBBKDNZEL-UHFFFAOYSA-N
Formula: C16H10O6
Molecular Weight: 298.247611
Exact Mass: 298.047738
NMR Solvent: CDDl3 + DMSO-d6
MHz:
Calibration:
NMR references: 13C - Yadav, P.P., Ahmad, G., Maurya, R. Phytochemistry (2004) 65, 439-43
Species:
Notes: Family : Flavonoids, Type : Pterocarpanoids; 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 |
|---|---|
| 1 (CH) | 123.2 |
| 2 (CH) | 114.4 |
| 3 (C) | 147.7 |
| 4 (C) | 148.7 |
| 4a (C) | 133.4 |
| 6 (C) | 161.8 |
| 6a (C) | 104.3 |
| 6b (C) | 116.7 |
| 7 (CH) | 115.6 |
| 8 (CH) | 114.1 |
| 9 (C) | 160.1 |
| 10 (CH) | 103.3 |
| 10a (C) | 158.3 |
| 11a (C) | 155 |
| 11b (C) | 102.5 |
| 4b (CH3) | 60.9 |
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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.