Spektraris NMR
CHEMBL523623
Common Name: CHEMBL523623
Synonyms: CHEMBL523623
CAS Registry Number:
InChI: InChI=1S/C24H26O6/c1-14(2)7-8-15-9-16(10-21(28-5)24(15)29-6)18-13-30-20-12-17(26-3)11-19(27-4)22(20)23(18)25/h7,9-13H,8H2,1-6H3
InChIKey: InChIKey=PCWHSSLCNUSQJY-UHFFFAOYSA-N
Formula: C24H26O6
Molecular Weight: 410.460551
Exact Mass: 410.172939
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Salem, M.M., Werbovetz, K.A. J Nat Prod (2006) 69, 43-9
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) | 150.4 |
| 3 (C) | 127.7 |
| 4 (C) | 175.3 |
| 5 (C) | 161.4 |
| 6 (CH) | 96.2 |
| 7 (C) | 163.8 |
| 8 (CH) | 92.5 |
| 9 (C) | 159.8 |
| 10 (C) | 109.9 |
| 1' (C) | 126.2 |
| 2' (CH) | 122.1 |
| 3' (C) | 135.2 |
| 4' (C) | 146.8 |
| 5' (C) | 152.2 |
| 6' (CH) | 111.8 |
| 1'' (CH2) | 28.6 |
| 2'' (CH) | 123 |
| 3'' (C) | 132.1 |
| 4'' (CH3) | 17.8 |
| 5'' (CH3) | 25.8 |
| 5a (CH3) | 60.5 |
| 7a (CH3) | 56.4 |
| 4'a (CH3) | 55.8 |
| 5'a (CH3) | 55.7 |
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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.