Spektraris NMR
Sophoronol E
Common Name: Sophoronol E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H32O7/c1-15(2)7-9-17-20(28)13-21(29)23-25(17)34-14-27(31,26(23)30)19-11-12-22(32-5)18(24(19)33-6)10-8-16(3)4/h7-8,11-13,28-29,31H,9-10,14H2,1-6H3/t27-/m1/s1
InChIKey: InChIKey=OSGRVFMXDBIYIM-HHHXNRCGSA-N
Formula: C27H32O7
Molecular Weight: 468.539808
Exact Mass: 468.214803
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) | 73.8 |
| 4 (C) | 196.6 |
| 5 (C) | 162.6 |
| 6 (CH) | 97.1 |
| 7 (C) | 164 |
| 8 (C) | 106.4 |
| 9 (C) | 159.6 |
| 10 (C) | 101.6 |
| 1' (C) | 123.7 |
| 2' (C) | 159.5 |
| 3' (C) | 123.5 |
| 4' (C) | 160 |
| 5' (CH) | 106 |
| 6' (CH) | 125.6 |
| 8a (CH2) | 21.5 |
| 8b (CH) | 122.7 |
| 8c (C) | 135 |
| 8d (CH3) | 25.6 |
| 8e (CH3) | 17.8 |
| 2'a (CH3) | 62.2 |
| 3'a (CH2) | 23.7 |
| 3'b (CH) | 121.6 |
| 3'c (C) | 131.8 |
| 3'd (CH3) | 25.8 |
| 3'e (CH3) | 17.8 |
| 4'a (CH3) | 55.7 |
