Spektraris NMR
Secofoveoglin
Common Name: Secofoveoglin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H38N2O8/c1-45-27-18-16-25(17-19-27)34(41)31(24-12-6-4-7-13-24)33(35(42)32-29(40)22-28(46-2)23-30(32)47-3)37(44)39-21-11-10-20-38-36(43)26-14-8-5-9-15-26/h4-9,12-19,22-23,31,33,40H,10-11,20-21H2,1-3H3,(H,38,43)(H,39,44)/t31-,33-/m0/s1
InChIKey: InChIKey=LWSABSBGRCFVDI-WEZIJMHWSA-N
Formula: C37H38N2O8
Molecular Weight: 638.707702
Exact Mass: 638.262816
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Salim, A.A., Chai, H.B., Rachman, I., Riswan, S., Kardono, L.B.S., Farnsworth, N.R., Carcache-Blanco, E.J., Kinghorn, A.D. Tetrahedron (2007) 63, 7926-34
Species:
Notes: Family : Flavonoids, Type : Flavaglines; 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 (C) | 196.9 |
| 3 (CH) | 53.8 |
| 4 (CH) | 63.6 |
| 5 (C) | 198.5 |
| 6 (C) | 162 |
| 7 (CH) | 91.7 |
| 8 (C) | 166.4 |
| 9 (CH) | 94.3 |
| 10 (C) | 168.1 |
| 11 (C) | 105.8 |
| 1' (C) | 129 |
| 2' (CH) | 131.3 |
| 3' (CH) | 113.7 |
| 4' (C) | 163.4 |
| 5' (CH) | 113.7 |
| 6' (CH) | 131.3 |
| 1'' (C) | 136.9 |
| 2'' (CH) | 128.9 |
| 3'' (CH) | 129.1 |
| 4'' (CH) | 127.6 |
| 5'' (CH) | 129.1 |
| 6'' (CH) | 128.9 |
| 4a (C) | 168.1 |
| 4b (CH2) | 38.9 |
| 4c (CH2) | 26.3 |
| 4d (CH2) | 26.9 |
| 4e (CH2) | 39.3 |
| 4f (C) | 167.4 |
| 4g (C) | 134.5 |
| 4h (CH) | 126.9 |
| 4i (CH) | 128.6 |
| 4j (CH) | 131.4 |
| 4k (CH) | 128.6 |
| 4l (CH) | 126.9 |
| 6a (CH3) | 56 |
| 8a (CH3) | 55.6 |
| 4'a (CH3) | 55.4 |
