Spektraris NMR
Asperpyrone B
Common Name: Asperpyrone B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H26O10/c1-13-7-18(33)26-20(35)9-15-10-21(38-4)28(30(40-6)23(15)31(26)41-13)25-17-11-16(37-3)12-22(39-5)24(17)32-27(29(25)36)19(34)8-14(2)42-32/h7-12,35-36H,1-6H3
InChIKey: InChIKey=ADLOVFYPOQTFMO-UHFFFAOYSA-N
Formula: C32H26O10
Molecular Weight: 570.544058
Exact Mass: 570.152597
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) | 166.8 |
| 3 (CH) | 110.6 |
| 4 (C) | 182.9 |
| 5 (C) | 156.4 |
| 6 (CH) | 106.1 |
| 7 (CH) | 101.9 |
| 8 (C) | 159.9 |
| 9 (C) | 117.8 |
| 10 (C) | 156.5 |
| 11 (C) | 109.3 |
| 12 (C) | 140.7 |
| 13 (C) | 108.1 |
| 14 (C) | 155 |
| 2' (C) | 166.5 |
| 3' (CH) | 110.3 |
| 4' (C) | 183 |
| 5' (C) | 154.3 |
| 6' (C) | 109.6 |
| 7' (CH) | 96.3 |
| 8' (C) | 161.5 |
| 9' (CH) | 96.7 |
| 10' (C) | 159.5 |
| 11' (C) | 108.4 |
| 12' (C) | 140.8 |
| 13' (C) | 105 |
| 14' (C) | 155.8 |
| 2a (CH3) | 20.6 |
| 8a (CH3) | 56.1 |
| 10a (CH3) | 55.2 |
| 2'a (CH3) | 20.6 |
| 8'a (CH3) | 61.5 |
| 10'a (CH3) | 56 |
