Spektraris NMR
Laurentiquinone
Common Name: Laurentiquinone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H18O7/c1-22-13-7-12(20)14(18(24-3)15(13)21)10-6-9-4-5-11(19)17(23-2)16(9)25-8-10/h4-5,7,10,19H,6,8H2,1-3H3
InChIKey: InChIKey=XILNSYAFHPDWTJ-UHFFFAOYSA-N
Formula: C18H18O7
Molecular Weight: 346.332014
Exact Mass: 346.105253
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kamnaing, P., Free, S., Nkengfack, A.E., Folefoc, G., Fomum, Z.T. Phytochemistry (1999) 51, 829-32
Species:
Notes: Family : Flavonoids, Type : Isoflavonoids, Group : Isoflavanes; 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 (CH2) | 67.7 |
| 3 (CH) | 30.9 |
| 4 (CH2) | 29.2 |
| 5 (CH) | 124.9 |
| 6 (CH) | 107.2 |
| 7 (C) | 155.6 |
| 8 (C) | 147.5 |
| 9 (C) | 155.6 |
| 10 (C) | 114.7 |
| 1' (C) | 134.9 |
| 2' (C) | 156.3 |
| 3' (C) | 178 |
| 4' (C) | 157.2 |
| 5' (CH) | 107.3 |
| 6' (C) | 186.5 |
| 8a (CH3) | 60.9 |
| 2'a (CH3) | 56.4 |
| 4'a (CH3) | 67.4 |
