Spektraris NMR
Cyclofoveoglin
Common Name: Cyclofoveoglin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H38N2O8/c1-45-27-18-16-26(17-19-27)37-31(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)38(37,44)36(33,43)32-29(47-3)22-28(46-2)23-30(32)48-37/h4-9,12-19,22-23,31,33,43-44H,10-11,20-21H2,1-3H3,(H,39,41)/t31-,33+,36+,37-,38-/m0/s1
InChIKey: InChIKey=WLLSRRNKLLNDHQ-ISCMDCNBSA-N
Formula: C38H38N2O8
Molecular Weight: 650.718438
Exact Mass: 650.262816
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) | 86.3 |
| 3 (CH) | 47.8 |
| 4 (CH) | 56.3 |
| 5 (C) | 83.7 |
| 6 (C) | 158.3 |
| 7 (CH) | 92.7 |
| 8 (C) | 161.3 |
| 9 (CH) | 93.4 |
| 10 (C) | 154 |
| 11 (C) | 104.4 |
| 12 (C) | 90.6 |
| 1' (C) | 128.6 |
| 2' (CH) | 128.7 |
| 3' (CH) | 113.7 |
| 4' (C) | 159.9 |
| 5' (CH) | 113.7 |
| 6' (CH) | 128.7 |
| 1'' (C) | 135.3 |
| 2'' (CH) | 127.1 |
| 3'' (CH) | 127.1 |
| 4'' (CH) | 125.8 |
| 5'' (CH) | 127.1 |
| 6'' (CH) | 127.1 |
| 4a (C) | 174 |
| 4b (CH2) | 38.6 |
| 4c (CH2) | 25.6 |
| 4d (CH2) | 27 |
| 4e (CH2) | 39.7 |
| 4f (C) | 167.7 |
| 4g (C) | 134.7 |
| 4h (CH) | 127 |
| 4i (CH) | 128.4 |
| 4j (CH) | 131.2 |
| 4k (CH) | 128.4 |
| 4l (CH) | 127 |
| 6a (CH3) | 56.1 |
| 8a (CH3) | 55.3 |
| 4'a (CH3) | 55.4 |
