Spektraris NMR
Conrauinone B
Common Name: Conrauinone B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H28O7/c1-17(6-5-10-27(2,3)29)9-11-31-25-14-22-19(13-23(25)30-4)26(28)20(15-32-22)18-7-8-21-24(12-18)34-16-33-21/h5,7-10,12-15,29H,6,11,16H2,1-4H3/b10-5+,17-9+
InChIKey: InChIKey=BJBINROOJFYWBC-FOHIQKNHSA-N
Formula: C27H28O7
Molecular Weight: 464.508045
Exact Mass: 464.183503
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) | 151.9 |
| 3 (C) | 125.3 |
| 4 (C) | 175.4 |
| 5 (CH) | 123.8 |
| 6 (C) | 148 |
| 7 (C) | 153.6 |
| 8 (CH) | 100.6 |
| 9 (C) | 152.1 |
| 10 (C) | 117.7 |
| 1' (C) | 125.9 |
| 2' (CH) | 109.8 |
| 3' (C) | 147.7 |
| 4' (C) | 147.6 |
| 5' (CH) | 108.4 |
| 6' (CH) | 122.3 |
| 6a (CH3) | 56.3 |
| 7a (CH2) | 66.3 |
| 7b (CH) | 119.2 |
| 7c (C) | 140.9 |
| 7d (CH2) | 42.2 |
| 7e (CH) | 123.9 |
| 7f (CH) | 140.4 |
| 7g (C) | 70.7 |
| 7h (CH3) | 30.9 |
| 7ca (CH3) | 16.8 |
| 7ga (CH3) | 29.8 |
| 3'a (CH2) | 101.1 |
