Spektraris NMR
Isofoveoglin
Common Name: Isofoveoglin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H40N2O8/c1-45-27-18-16-26(17-19-27)38-31(24-12-6-4-7-13-24)33(35(42)40-21-11-10-20-39-34(41)25-14-8-5-9-15-25)37(44,36(38)43)32-29(47-3)22-28(46-2)23-30(32)48-38/h4-9,12-19,22-23,31,33,36,43-44H,10-11,20-21H2,1-3H3,(H,39,41)(H,40,42)/t31-,33+,36-,37+,38-/m0/s1
InChIKey: InChIKey=XFSOIGVOVJTBKR-GCCLCOOESA-N
Formula: C38H40N2O8
Molecular Weight: 652.73432
Exact Mass: 652.278466
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) | 89.9 |
| 3 (CH) | 56 |
| 4 (CH) | 65.6 |
| 5 (C) | 79.6 |
| 6 (C) | 156.3 |
| 7 (CH) | 92.5 |
| 8 (C) | 160.9 |
| 9 (CH) | 93.8 |
| 10 (C) | 153.8 |
| 11 (C) | 110.4 |
| 12 (CH) | 82.6 |
| 1' (C) | 129.8 |
| 2' (CH) | 128.6 |
| 3' (CH) | 113.1 |
| 4' (C) | 158.9 |
| 5' (CH) | 113.1 |
| 6' (CH) | 128.6 |
| 1'' (C) | 137.4 |
| 2'' (CH) | 129.2 |
| 3'' (CH) | 128 |
| 4'' (CH) | 126.8 |
| 5'' (CH) | 128 |
| 6'' (CH) | 129.2 |
| 4a (C) | 173.8 |
| 4b (CH2) | 39.3 |
| 4c (CH2) | 26.2 |
| 4d (CH2) | 26.9 |
| 4e (CH2) | 39.7 |
| 4f (C) | 167.8 |
| 4g (C) | 134.4 |
| 4h (CH) | 126.9 |
| 4i (CH) | 128.6 |
| 4j (CH) | 131.5 |
| 4k (CH) | 128.6 |
| 4l (CH) | 126.9 |
| 6a (CH3) | 56.2 |
| 8a (CH3) | 55.2 |
| 4'a (CH3) | 55.4 |
