Spektraris NMR
Lupinisoflavone B
Common Name: Lupinisoflavone B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H26O6/c1-12(2)7-8-14-21-18(11-20(28-5)25(14)29-6)31-19-10-17-15(9-16(30-17)13(3)4)23(26)22(19)24(21)27/h7,10-11,16,26H,3,8-9H2,1-2,4-6H3
InChIKey: InChIKey=RIOKLMDOEJGTBB-UHFFFAOYSA-N
Formula: C25H26O6
Molecular Weight: 422.471287
Exact Mass: 422.172939
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) | 158.2 |
| 2 (C) | 107.2 |
| 3 (C) | 164.4 |
| 4 (CH) | 88.2 |
| 4a (C) | 157.3 |
| 5 (CH) | 98.3 |
| 6 (C) | 158.2 |
| 7 (C) | 144.1 |
| 8 (C) | 137.2 |
| 8a (C) | 111.9 |
| 9 (C) | 182.2 |
| 9a (C) | 104.3 |
| 10a (C) | 155.5 |
| 1' (CH2) | 23.9 |
| 2' (CH) | 123.2 |
| 3' (C) | 131.9 |
| 4' (CH3) | 25.9 |
| 5' (CH3) | 18.2 |
| 2a (CH2) | 30.7 |
| 2b (CH) | 88.2 |
| 2c (C) | 143.3 |
| 2d (CH2) | 112.6 |
| 2e (CH3) | 17 |
| 6a (CH3) | 56.1 |
| 7a (CH3) | 61 |
