Spektraris NMR
Sophoronol A
Common Name: Sophoronol A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H18O7/c1-19(2)6-5-11-14(27-19)4-3-12(17(11)23)20(25)9-26-15-8-10(21)7-13(22)16(15)18(20)24/h3-8,21-23,25H,9H2,1-2H3/t20-/m1/s1
InChIKey: InChIKey=NDCXIIAUSGBKRL-HXUWFJFHSA-N
Formula: C20H18O7
Molecular Weight: 370.353486
Exact Mass: 370.105253
NMR Solvent: DMSO-d6
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) | 73.5 |
| 3 (C) | 73.5 |
| 4 (C) | 194.2 |
| 5 (C) | 165.2 |
| 6 (CH) | 96.2 |
| 7 (C) | 169.8 |
| 8 (CH) | 97.3 |
| 9 (C) | 162.8 |
| 10 (C) | 100 |
| 1' (C) | 129.6 |
| 2' (C) | 153.9 |
| 3' (C) | 110.6 |
| 4' (C) | 150.8 |
| 5' (CH) | 107.8 |
| 6' (CH) | 128 |
| 1'' (C) | 75.9 |
| 2'' (CH) | 129.6 |
| 3'' (CH) | 117.4 |
| 4'' (CH3) | 28 |
| 5'' (CH3) | 28.1 |
