Spektraris NMR
Cladrastin
Common Name: Cladrastin
Synonyms: Cladrastin
CAS Registry Number:
InChI: InChI=1S/C18H16O6/c1-21-14-5-4-10(6-17(14)23-3)12-9-24-15-8-13(19)16(22-2)7-11(15)18(12)20/h4-9,19H,1-3H3
InChIKey: InChIKey=GLSQLYMTPJESIY-UHFFFAOYSA-N
Formula: C18H16O6
Molecular Weight: 328.316728
Exact Mass: 328.094688
NMR Solvent: CDDl3 + DMSO-d6
MHz:
Calibration:
NMR references: 13C - Jha, B.C., Zilliken, F., Breitmaier, B. Can J Chem (1980) 58, 1211
Species:
Notes: Family : Flavonoids, Type : Isoflavonoids, Group : Isoflavones; 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 |
|---|---|
| 2 (CH) | 152.8 |
| 3 (C) | 123.3 |
| 4 (C) | 174.5 |
| 5 (CH) | 104.4 |
| 6 (C) | 147.5 |
| 7 (C) | 154.3 |
| 8 (CH) | 100 |
| 9 (C) | 151.9 |
| 10 (C) | 117.2 |
| 1' (C) | 124.9 |
| 2' (CH) | 112.9 |
| 3' (C) | 148.8 |
| 4' (C) | 148.5 |
| 5' (CH) | 111.5 |
| 6' (CH) | 121.2 |
| 6a (CH3) | 55.6 |
| 3'a (CH3) | 55.6 |
| 4'a (CH3) | 55.8 |
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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.