Spektraris NMR
Common Name:
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H18O3/c1-19-15-12-14(17)9-11-16(15,18)10-5-8-13-6-3-2-4-7-13/h2-7,10,12,18H,8-9,11H2,1H3/b10-5+
InChIKey: InChIKey=VIERHEKIFDCJMP-BJMVGYQFSA-N
Formula: C16H18O3
Molecular Weight: 258.312923
Exact Mass: 258.125594
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Awale, S., Shrestha, S.P., Tezuka, Y., Ueda, J.Y., Matsushige, K., Kadota, S. J Nat Prod (2005) 68, 858-64
Species:
Notes: Family : Flavonoids, Type : Chalconoids, Group : ; 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) | 72 |
| 2 (C) | 177.6 |
| 3 (CH) | 102 |
| 4 (C) | 198.3 |
| 5 (CH2) | 33.9 |
| 6 (CH2) | 33 |
| α (CH) | 123.4 |
| β (CH) | 134.5 |
| 1' (C) | 136.9 |
| 2' (CH) | 128.6 |
| 3' (CH) | 127.6 |
| 4' (CH) | 128.3 |
| 5' (CH) | 127.6 |
| 6' (CH) | 128.6 |
| β' (CH2) | 102 |
| 2a (CH3) | 56.2 |
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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.