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?/m1/s1
InChIKey: InChIKey=ZEHGQRSTISIYCB-ZCDVPAHGSA-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) | 69.57 |
| 3 (CH) | 46.17 |
| 4 (C) | 197.13 |
| 5 (C) | 162.22 |
| 6 (C) | 104.19 |
| 7 (C) | 162.31 |
| 8 (CH) | 94.6 |
| 9 (C) | 160.59 |
| 10 (C) | 101.88 |
| 1' (C) | 114.56 |
| 2' (C) | 154.47 |
| 3' (CH) | 105.58 |
| 4' (C) | 152.8 |
| 5' (C) | 117.9 |
| 6' (CH) | 128.13 |
| 1'' (CH) | 31.56 |
| 2'' (CH) | 121.84 |
| 3'' (C) | 134.98 |
| 4'' (CH2) | 30.29 |
| 5'' (CH2) | 19.49 |
| 6'' (CH) | 39.28 |
| 7'' (C) | 76.25 |
| 6a (CH3) | 6.5 |
| 3''a (CH3) | 26.45 |
| 7''a (CH3) | 26.26 |
| 7''b (CH3) | 26.42 |
