Spektraris NMR
Ascherxanthone A
Common Name: Ascherxanthone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H34O10/c1-13-11-19-23(25(33)15-7-9-17(39-5)29(37)31(15,3)41-19)27(35)21(13)22-14(2)12-20-24(28(22)36)26(34)16-8-10-18(40-6)30(38)32(16,4)42-20/h7-8,11-12,17-18,29-30,35-38H,9-10H2,1-6H3/t17-,18-,29+,30+,31+,32+/m0/s1
InChIKey: InChIKey=RLBXNYCARFXYIU-RIJKSYFQSA-N
Formula: C32H34O10
Molecular Weight: 578.607584
Exact Mass: 578.215197
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Isaka, M., Palasarn, S., Kocharin, K., Saenboonrueng, J. J Nat Prod (2005) 68, 945-6
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) | 160.5 |
| 2 (C) | 115.9 |
| 3 (C) | 150.8 |
| 4 (CH) | 109.3 |
| 4a (C) | 158.3 |
| 5 (CH) | 75.9 |
| 6 (CH) | 76.9 |
| 7 (CH2) | 30.9 |
| 8 (CH) | 133.3 |
| 8a (C) | 135.6 |
| 9 (C) | 185.3 |
| 9a (C) | 105.3 |
| 10a (C) | 82.3 |
| 1' (C) | 160.5 |
| 2' (C) | 115.9 |
| 3' (C) | 150.8 |
| 4' (CH) | 109.3 |
| 4'a (C) | 158.3 |
| 5' (CH) | 75.9 |
| 6' (CH) | 76.9 |
| 7' (CH2) | 30.9 |
| 8' (CH) | 133.3 |
| 8'a (C) | 135.6 |
| 9' (C) | 185.3 |
| 9'a (C) | 105.3 |
| 10'a (C) | 82.3 |
| 1'' (CH3) | 21 |
| 1''' (CH3) | 21 |
| 3a (CH3) | 20 |
| 6a (CH3) | 57.3 |
| 3'a (CH3) | 20 |
| 6'a (CH3) | 57.3 |
