Spektraris NMR
(R)-2,3-Dihydro-7-demethylrobustigenin
Common Name: (R)-2,3-Dihydro-7-demethylrobustigenin
Synonyms: (R)-2,3-Dihydro-7-demethylrobustigenin
CAS Registry Number:
InChI: InChI=1S/C18H18O7/c1-22-13-7-15(24-3)14(23-2)6-10(13)11-8-25-16-5-9(19)4-12(20)17(16)18(11)21/h4-7,11,19-20H,8H2,1-3H3/t11-/m0/s1
InChIKey: InChIKey=DWYGHGCLIOYRFR-NSHDSACASA-N
Formula: C18H18O7
Molecular Weight: 346.332014
Exact Mass: 346.105253
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Yenesew, A., Midiwo, J.O., Heydenreich, M., Schanzenbach, D., Peter, M.G. Phytochemistry (2000) 55, 457-9
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) | 71.7 |
| 3 (CH) | 48.3 |
| 4 (C) | 198.8 |
| 5 (C) | 166.3 |
| 6 (CH) | 97.6 |
| 7 (C) | 167.7 |
| 8 (CH) | 96.3 |
| 9 (C) | 165.2 |
| 10 (C) | 104.2 |
| 1' (C) | 116 |
| 2' (C) | 153.8 |
| 3' (CH) | 100.4 |
| 4' (C) | 151.6 |
| 5' (C) | 145 |
| 6' (CH) | 117.3 |
| 2'a (CH3) | 56.8 |
| 4'a (CH3) | 57 |
| 5'a (CH3) | 57.5 |
