Spektraris NMR
IB-00208
Common Name: IB-00208
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H34O14/c1-13-12-17-22(35(41)47-13)26(38)21-16(30(17)50-36-34(46-7)33(45-6)29(44-5)14(2)48-36)9-8-15-20(21)27(39)24-28(40)23-18(42-3)10-11-19(43-4)31(23)49-32(24)25(15)37/h8-11,13-14,29,33-34,36,38H,12H2,1-7H3/t13?,14-,29-,33+,34-,36+/m1/s1
InChIKey: InChIKey=CQLYGPZACBJXSX-MARVGXLISA-N
Formula: C36H34O14
Molecular Weight: 690.648147
Exact Mass: 690.194856
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodriguez, J.C., Fernandez Puentes, J.L., Baz, J.P., CaÒedo, L.M. J Antibiot (2003) 56, 318-21
Species:
Notes: Family : Aromatics, Type : Xanthones; 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 |
|---|---|
| 1 (C) | 181.8 |
| 2 (C) | 136.9 |
| 3 (C) | 129.8 |
| 4 (C) | 178.8 |
| 4a (C) | 153.2 |
| 5 (C) | 148.7 |
| 6 (CH) | 119.7 |
| 7 (CH) | 114.6 |
| 8 (C) | 151.5 |
| 8a (C) | 121.1 |
| 9 (C) | 173.3 |
| 9a (C) | 121.3 |
| 10a (C) | 149.8 |
| 1' (C) | 170.4 |
| 3' (CH) | 76.2 |
| 4' (CH2) | 30.5 |
| 5' (C) | 131.8 |
| 6' (C) | 139.9 |
| 7' (C) | 138.6 |
| 8' (CH) | 127.6 |
| 9' (CH) | 124.8 |
| 10' (C) | 119.9 |
| 11' (C) | 160.3 |
| 12' (C) | 104.8 |
| 13' (CH3) | 21.1 |
| 1'' (CH) | 105.2 |
| 2'' (CH) | 84.7 |
| 3'' (CH) | 86.7 |
| 4'' (CH) | 85.4 |
| 5'' (CH) | 71.6 |
| 6'' (CH3) | 17.7 |
| 1''' (CH3) | 62.3 |
| 1'''' (CH3) | 57 |
| 2''a (CH3) | 61.4 |
| 3''a (CH3) | 61.3 |
| 4''a (CH3) | 61 |
