Spektraris NMR
Pongamol
Common Name: Pongamol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H14O4/c1-21-18-14(8-7-13-9-10-22-17(13)18)16(20)11-15(19)12-5-3-2-4-6-12/h2-11,19H,1H3/b15-11-
InChIKey: InChIKey=RJMSZYVHSPLSNM-PTNGSMBKSA-N
Formula: C18H14O4
Molecular Weight: 294.302036
Exact Mass: 294.089209
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chang, L.C., Gerhauser, C., Song, L., Farnsworth, N.R., Pezzuto, J.M., Kinghorn, A.D. J Nat Prod (1997) 60, 869-73
Species:
Notes: Family : Flavonoids, Type : Chalconoids; 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 (C) | 135.6 |
| 2 (CH) | 128.6 |
| 3 (CH) | 127.1 |
| 4 (CH) | 132.1 |
| 5 (CH) | 127.1 |
| 6 (CH) | 128.6 |
| α (CH) | 97.8 |
| β (C) | 184.2 |
| 1' (C) | 122.1 |
| 2' (C) | 153 |
| 3' (C) | 158.7 |
| 4' (C) | 119.5 |
| 5' (CH) | 106.9 |
| 6' (CH) | 126.4 |
| β' (C) | 186 |
| 2'' (CH) | 105.2 |
| 3'' (CH) | 144.8 |
| 2'a (CH3) | 61.1 |
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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.