Spektraris NMR
Sophoronol D
Common Name: Sophoronol D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H24O8/c1-11(2)5-6-13-19(28-3)14(9-16(25)20(13)29-4)22(27)10-30-17-8-12(23)7-15(24)18(17)21(22)26/h5,7-9,23-25,27H,6,10H2,1-4H3/t22-/m1/s1
InChIKey: InChIKey=ZXYPRXHIKNCGTA-JOCHJYFZSA-N
Formula: C22H24O8
Molecular Weight: 416.422007
Exact Mass: 416.147118
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Zhang, G.P., Xiao, Z.Y., Rafique, J., Arfan, M., Smith, P.J., Lategan, C.A., Hu, L.H. J Nat Prod (2009) 72, 1265-8
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) | 74.3 |
| 3 (C) | 74.5 |
| 4 (C) | 195.4 |
| 5 (C) | 164.9 |
| 6 (CH) | 96.1 |
| 7 (C) | 166.2 |
| 8 (CH) | 97.5 |
| 9 (C) | 162.9 |
| 10 (C) | 101.3 |
| 1' (C) | 129.2 |
| 2' (C) | 149.2 |
| 3' (C) | 127 |
| 4' (C) | 146.8 |
| 5' (C) | 145.2 |
| 6' (CH) | 113 |
| 2'a (CH3) | 61.9 |
| 3'a (CH2) | 24.5 |
| 3'b (CH) | 122.6 |
| 3'c (C) | 132.5 |
| 3'd (CH3) | 25.8 |
| 3'e (CH3) | 18.1 |
| 4'a (CH3) | 61 |
