Spektraris NMR
Lupinisoflavone A
Common Name: Lupinisoflavone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H28O7/c1-12(2)7-8-13-20-16(11-18(29-5)24(13)30-6)31-17-10-15-14(22(26)21(17)23(20)27)9-19(32-15)25(3,4)28/h7,10-11,19,26,28H,8-9H2,1-6H3
InChIKey: InChIKey=ASLBIZLCWCSZGR-UHFFFAOYSA-N
Formula: C25H28O7
Molecular Weight: 440.486573
Exact Mass: 440.183503
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Johns, S.R., Lamberton, J.A., Morton, T.C., Suares, H., Willing, R.I. Aust J Chem (1983) 36, 2537-47
Species:
Notes: Family : Aromatics, Type : Xanthones; 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 |
|---|---|
| 1 (C) | 158.1 |
| 2 (C) | 107.6 |
| 3 (C) | 166.2 |
| 4 (CH) | 88.1 |
| 4a (C) | 157.1 |
| 5 (CH) | 98.3 |
| 6 (C) | 158.1 |
| 7 (C) | 144.1 |
| 8 (C) | 137.2 |
| 8a (C) | 111.9 |
| 9 (C) | 182.2 |
| 9a (C) | 104.4 |
| 10a (C) | 155.5 |
| 1' (CH2) | 26.2 |
| 2' (CH) | 123.2 |
| 3' (C) | 131.9 |
| 4' (CH3) | 25.9 |
| 5' (CH3) | 18.2 |
| 2a (CH2) | 26.9 |
| 2b (CH) | 91.8 |
| 2c (C) | 72 |
| 2d (CH3) | 23.9 |
| 2e (CH3) | 25.9 |
| 6a (CH3) | 56.1 |
| 7a (CH3) | 61 |
