Spektraris NMR
Colutequinone B
Common Name: Colutequinone B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H18O6/c1-21-12-5-4-10-6-11(9-24-14(10)7-12)16-13(19)8-15(22-2)17(20)18(16)23-3/h4-5,7-8,11H,6,9H2,1-3H3/t11-/m0/s1
InChIKey: InChIKey=OIIWAPYAJCEIFE-NSHDSACASA-N
Formula: C18H18O6
Molecular Weight: 330.332609
Exact Mass: 330.110338
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Grosvenor, P.W., Gray, D.O. J Nat Prod (1998) 61, 99-101
Species:
Notes: Family : Flavonoids, Type : Isoflavonoids, Group : Isoflavanes; 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 (CH2) | 67.5 |
| 3 (CH) | 30.8 |
| 4 (CH2) | 28.6 |
| 5 (CH) | 129.6 |
| 6 (CH) | 107 |
| 7 (C) | 158.8 |
| 8 (CH) | 101.2 |
| 9 (C) | 154.8 |
| 10 (C) | 113.5 |
| 1' (C) | 130.7 |
| 2' (C) | 186.4 |
| 3' (CH) | 106.9 |
| 4' (C) | 157.1 |
| 5' (C) | 177.9 |
| 6' (C) | 155.2 |
| 7a (CH3) | 55.1 |
| 4'a (CH3) | 56.3 |
| 6'a (CH3) | 61.7 |
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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.