Spektraris NMR
Asperpyrone A
Common Name: Asperpyrone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H24O9/c1-13-8-19(32)17-7-6-15-10-21(34)26(30(38-5)23(15)29(17)39-13)25-18-11-16(36-3)12-22(37-4)24(18)28(35)27-20(33)9-14(2)40-31(25)27/h6-12,34-35H,1-5H3
InChIKey: InChIKey=GTLHHARKIUPGCZ-UHFFFAOYSA-N
Formula: C31H24O9
Molecular Weight: 540.518035
Exact Mass: 540.142032
NMR Solvent: DMSO-d6
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) | 167.9 |
| 3 (CH) | 110 |
| 4 (C) | 182.3 |
| 5 (CH) | 155.5 |
| 6 (CH) | 104.4 |
| 7 (CH) | 105.2 |
| 8 (C) | 158.4 |
| 9 (C) | 116.2 |
| 10 (C) | 156.9 |
| 11 (C) | 108.1 |
| 12 (C) | 140.1 |
| 13 (C) | 106.5 |
| 14 (C) | 154.7 |
| 2' (C) | 168.4 |
| 3' (CH) | 106.7 |
| 4' (C) | 183.9 |
| 5' (C) | 162 |
| 6' (C) | 160.8 |
| 7' (CH) | 96.4 |
| 8' (C) | 161.1 |
| 9' (CH) | 96.9 |
| 10' (C) | 105.1 |
| 11' (C) | 103.3 |
| 12' (C) | 107.6 |
| 13' (C) | 140 |
| 14' (C) | 150.2 |
| 2a (CH3) | 19.8 |
| 10a (CH3) | 60.9 |
| 2'a (CH3) | 20.8 |
| 6'a (CH3) | 56.1 |
| 8'a (CH3) | 55 |
