Spektraris NMR
Conrauinone A
Common Name: Conrauinone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H22O8/c1-24(2)7-6-12-20-18(22(27-4)23(28-5)21(12)32-24)19(25)14(10-29-20)13-8-16-17(31-11-30-16)9-15(13)26-3/h6-10H,11H2,1-5H3
InChIKey: InChIKey=URZMTISBMITCOL-UHFFFAOYSA-N
Formula: C24H22O8
Molecular Weight: 438.427598
Exact Mass: 438.131468
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Fuendjiep, V.V., Nkengfack, A.E., Fomum, Z.T., Sondengam, B.L., Bodo, B. J Nat Prod (1998) 61, 380-3
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) | 152.1 |
| 3 (C) | 122.2 |
| 4 (C) | 175 |
| 5 (C) | 152.9 |
| 6 (C) | 140 |
| 7 (C) | 150.9 |
| 8 (C) | 106.7 |
| 9 (C) | 149.1 |
| 10 (C) | 113.2 |
| 1' (C) | 112.8 |
| 2' (C) | 153 |
| 3' (CH) | 95.3 |
| 4' (C) | 148.3 |
| 5' (C) | 141.1 |
| 6' (CH) | 111.4 |
| 2'' (C) | 78.1 |
| 3'' (CH) | 129.1 |
| 4'' (CH) | 115.1 |
| 5'' (CH3) | 28 |
| 6'' (CH3) | 28 |
| 5a (CH3) | 62.2 |
| 6a (CH3) | 61.4 |
| 2'a (CH3) | 56.8 |
| 4'a (CH2) | 101.3 |
