Spektraris NMR
Desmodianone D
Common Name: Desmodianone D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H28O6/c1-11-16(27)8-19-20(23(11)29)24(30)14(10-31-19)12-7-13-18(9-17(12)28)32-26(4)6-5-15-22(26)21(13)25(15,2)3/h7-9,14-15,21-22,27-29H,5-6,10H2,1-4H3/t14-,15?,21?,22?,26?/m0/s1
InChIKey: InChIKey=UVHLXFVVOMQROE-AFUWMSNWSA-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) | 69.38 |
| 3 (CH) | 45.12 |
| 4 (C) | 196.75 |
| 5 (C) | 161.96 |
| 6 (C) | 104.01 |
| 7 (C) | 162.97 |
| 8 (CH) | 94.32 |
| 9 (C) | 160.29 |
| 10 (C) | 101.11 |
| 1' (C) | 114.41 |
| 2' (C) | 154.06 |
| 3' (CH) | 106.7 |
| 4' (C) | 153.41 |
| 5' (C) | 117.19 |
| 6' (CH) | 128.09 |
| 1'' (CH) | 39.26 |
| 2'' (CH) | 39.24 |
| 3'' (C) | 83.91 |
| 4'' (CH2) | 37.6 |
| 5'' (CH2) | 25.34 |
| 6'' (CH) | 46.34 |
| 7'' (C) | 38.62 |
| 6a (CH3) | 6.64 |
| 3''a (CH3) | 26.72 |
| 7''a (CH3) | 34.67 |
| 7''b (CH3) | 19.15 |
