Spektraris NMR
Asperpyrone C
Common Name: Asperpyrone C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H28O9/c1-14-7-21(33)19-13-18-16(9-23(19)40-14)10-24(37-4)29(31(18)39-6)27-20-11-17(36-3)12-25(38-5)26(20)32-28(30(27)35)22(34)8-15(2)41-32/h7-13,29,31,35H,1-6H3
InChIKey: InChIKey=FINKXZKGZXIUCV-UHFFFAOYSA-N
Formula: C32H28O9
Molecular Weight: 556.560534
Exact Mass: 556.173332
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Akiyama K., Teraguchi S., Hamasaki Y., Mori M., Tatsumi K., Ohnishi K., Hayashi H. J Nat Prod (2003) 66, 136-9
Species:
Notes: Family : Chromans, Type : Chromones; 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) | 167.5 |
| 3 (CH) | 107.4 |
| 4 (C) | 184.5 |
| 5 (CH) | 161.9 |
| 6 (CH) | 158.3 |
| 7 (CH) | 118.3 |
| 8 (C) | 160.2 |
| 9 (CH) | 101.7 |
| 10 (CH) | 101.2 |
| 11 (C) | 104.6 |
| 12 (C) | 111.5 |
| 13 (C) | 140.6 |
| 14 (C) | 153.2 |
| 2' (C) | 166.5 |
| 3' (CH) | 110.2 |
| 4' (C) | 183 |
| 5' (C) | 154.2 |
| 6' (C) | 109.9 |
| 7' (CH) | 96.6 |
| 8' (C) | 161.4 |
| 9' (CH) | 96.7 |
| 10' (C) | 159.4 |
| 11' (C) | 108.3 |
| 12' (C) | 140.7 |
| 13' (C) | 105 |
| 14' (C) | 155.7 |
| 2a (CH3) | 20.7 |
| 6a (CH3) | 62.2 |
| 8a (CH3) | 56.1 |
| 2'a (CH3) | 20.5 |
| 8'a (CH3) | 55.2 |
| 10'a (CH3) | 56 |
