Spektraris NMR
Desmodianone E
Common Name: Desmodianone E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H28O6/c1-12-5-6-18-14(7-12)16-8-15(20(28)10-21(16)32-26(18,3)4)17-11-31-22-9-19(27)13(2)24(29)23(22)25(17)30/h7-10,14,17-18,27-29H,5-6,11H2,1-4H3/t14?,17-,18?/m0/s1
InChIKey: InChIKey=ZEHGQRSTISIYCB-GMXGEUMGSA-N
Formula: C26H28O6
Molecular Weight: 436.497904
Exact Mass: 436.188589
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Botta, B., Gacs-Baitz, E., Vinciguerra, V., Delle Monache, G. Phytochemistry (2003) 64, 599-602
Species:
Notes: Family : Flavonoids, Type : Isoflavonoids, Group : Isoflavanones; 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) | 69.5 |
| 3 (CH) | 45.25 |
| 4 (C) | 197.13 |
| 5 (C) | 162.16 |
| 6 (C) | 104.09 |
| 7 (C) | 163.04 |
| 8 (CH) | 94.38 |
| 9 (C) | 160.53 |
| 10 (C) | 101.69 |
| 1' (C) | 114.47 |
| 2' (C) | 153.25 |
| 3' (CH) | 105.4 |
| 4' (C) | 152.8 |
| 5' (C) | 117.84 |
| 6' (CH) | 127.13 |
| 1'' (CH) | 31.5 |
| 2'' (CH) | 121.84 |
| 3'' (C) | 134.84 |
| 4'' (CH2) | 30.16 |
| 5'' (CH2) | 19.46 |
| 6'' (CH) | 39.19 |
| 7'' (C) | 76.2 |
| 6a (CH3) | 6.5 |
| 3''a (CH3) | 26.45 |
| 7''a (CH3) | 26.26 |
| 7''b (CH3) | 23.34 |
