Spektraris NMR
Crotaoprostrin
Common Name: Crotaoprostrin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H18O5/c1-21-16-10-12(11-17(22-2)18(16)23-3)8-9-15(20)13-6-4-5-7-14(13)19/h4-11,19H,1-3H3/b9-8+
InChIKey: InChIKey=SRSBUHVXNLHWHU-CMDGGOBGSA-N
Formula: C18H18O5
Molecular Weight: 314.333204
Exact Mass: 314.115424
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) | 130.5 |
| 2 (CH) | 106.4 |
| 3 (C) | 154 |
| 4 (C) | 141.2 |
| 5 (C) | 154 |
| 6 (CH) | 106.4 |
| α (CH) | 119.6 |
| β (CH) | 146.1 |
| 1' (C) | 120.4 |
| 2' (C) | 164 |
| 3' (CH) | 119 |
| 4' (CH) | 136.8 |
| 5' (CH) | 119.2 |
| 6' (CH) | 130 |
| β' (C) | 193.9 |
| 3a (CH3) | 56.7 |
| 4a (CH3) | 61.4 |
| 5a (CH3) | 56.7 |
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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.