Spektraris NMR
Sophoronol C
Common Name: Sophoronol C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H30O7/c1-24(2)10-8-14-18(32-24)7-6-16(21(14)30-5)26(29)13-31-22-15-9-11-25(3,4)33-19(15)12-17(27)20(22)23(26)28/h6-7,12,27,29H,8-11,13H2,1-5H3/t26-/m1/s1
InChIKey: InChIKey=VTNVBSWKRFKHFA-AREMUKBSSA-N
Formula: C26H30O7
Molecular Weight: 454.51319
Exact Mass: 454.199153
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) | 73.7 |
| 4 (C) | 196.1 |
| 5 (C) | 161.9 |
| 6 (CH) | 97.8 |
| 7 (C) | 163.2 |
| 8 (C) | 101 |
| 9 (C) | 159.6 |
| 10 (C) | 101.1 |
| 1' (C) | 121.8 |
| 2' (C) | 156.5 |
| 3' (C) | 114.9 |
| 4' (C) | 155.8 |
| 5' (CH) | 112.8 |
| 6' (CH) | 125.7 |
| 1'' (C) | 76.2 |
| 2'' (CH2) | 31.8 |
| 3'' (CH2) | 16 |
| 4'' (CH3) | 26.6 |
| 5'' (CH3) | 26.1 |
| 1''' (C) | 74 |
| 2''' (CH2) | 32.1 |
| 3''' (CH2) | 18.3 |
| 4''' (CH3) | 27.4 |
| 5''' (CH3) | 26.8 |
| 2'a (CH3) | 60.6 |
