Spektraris NMR
Crotmarine
Common Name: Crotmarine
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H20O4/c1-11(2)18-7-13-6-16(17(22)9-20(13)24-18)14-5-12-3-4-15(21)8-19(12)23-10-14/h3-4,6,8-9,14,18,21-22H,1,5,7,10H2,2H3
InChIKey: InChIKey=QSBNBPUPUBDYQE-UHFFFAOYSA-N
Formula: C20H20O4
Molecular Weight: 324.371153
Exact Mass: 324.136159
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Vanheerden, F.R., Brandt, E.V., Roux, D.G. J Chem Soc, Perkin Trans 1 (1980) 0, 2463-9
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) | 70.2 |
| 3 (CH) | 31.2 |
| 4 (CH2) | 31 |
| 5 (CH) | 130.4 |
| 6 (CH) | 108.2 |
| 7 (C) | 159.1 |
| 8 (CH) | 103.3 |
| 9 (C) | 150.2 |
| 10 (C) | 114.8 |
| 1' (C) | 119 |
| 2' (C) | 155.1 |
| 3' (CH) | 102.3 |
| 4' (C) | 154.2 |
| 5' (C) | 112.5 |
| 6' (CH) | 127.2 |
| 5'a (CH2) | 31.9 |
| 5'b (CH) | 86.3 |
| 5'c (C) | 143 |
| 5'd (CH2) | 112.3 |
| 5'e (CH3) | 17.2 |
