Spektraris NMR
Crotaramin
Common Name: Crotaramin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H22O4/c1-21(2)13-12-17-19(25-21)11-9-16(20(17)23)18(22)10-6-14-4-7-15(24-3)8-5-14/h4-5,7-9,11-13,23H,6,10H2,1-3H3
InChIKey: InChIKey=XRPKPDHAYAOPTH-UHFFFAOYSA-N
Formula: C21H22O4
Molecular Weight: 338.39777
Exact Mass: 338.151809
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Krohn K., Steingrover K., Srinivasa Rao M. Phytochemistry (2002) 61, 931-6
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) | 133 |
| 2 (CH) | 129.4 |
| 3 (CH) | 114.1 |
| 4 (C) | 158.2 |
| 5 (CH) | 114.1 |
| 6 (CH) | 129.4 |
| α (CH2) | 40 |
| β (CH2) | 29.7 |
| 1' (C) | 113.5 |
| 2' (C) | 159.8 |
| 3' (C) | 109.4 |
| 4' (C) | 159.7 |
| 5' (CH) | 108.4 |
| 6' (CH) | 131 |
| β' (C) | 204 |
| 2'' (C) | 77.8 |
| 3'' (CH) | 128.3 |
| 4'' (CH) | 115.9 |
| 5'' (CH3) | 28.4 |
| 6'' (CH3) | 28.4 |
| 4a (CH3) | 55.4 |
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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.