Spektraris NMR
Arugosin G
Common Name: Arugosin G
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H36O6/c1-16(2)8-10-20-15-21(11-9-17(3)4)29-25(26(20)32)27(33)23-22(31)14-19(7)28(24(23)30(34)36-29)35-13-12-18(5)6/h8-9,12,14-15,30-32,34H,10-11,13H2,1-7H3
InChIKey: InChIKey=SKRQPJZOWGXGMD-UHFFFAOYSA-N
Formula: C30H36O6
Molecular Weight: 492.604374
Exact Mass: 492.251189
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Kralj, A., Kehraus, S., Krick, A., Eguereva, E., Kelter, G., Maurer, M., Wortmann, A., Fiebig, H.H., Konig, G.M. J Nat Prod (2006) 69, 995-1000
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) | 122.9 |
| 3 (CH) | 138.8 |
| 4 (C) | 122.9 |
| 4a (C) | 150 |
| 5 (CH) | 120.9 |
| 6 (C) | 141.8 |
| 7 (C) | 146.3 |
| 8 (C) | 133.2 |
| 8a (C) | 119.6 |
| 9 (C) | 199.4 |
| 9a (C) | 114.9 |
| 10a (C) | 157.6 |
| 11 (CH) | 92.2 |
| 1' (CH2) | 29.4 |
| 2' (CH) | 123.8 |
| 3' (C) | 132.8 |
| 4' (CH3) | 17.8 |
| 5' (CH3) | 25.8 |
| 1'' (CH2) | 28.4 |
| 2'' (CH) | 123.4 |
| 3'' (C) | 132.5 |
| 4'' (CH3) | 17.8 |
| 5'' (CH3) | 25.8 |
| 1''' (CH2) | 72.2 |
| 2''' (CH) | 120.8 |
| 3''' (C) | 138.9 |
| 4''' (CH3) | 18 |
| 5''' (CH3) | 25.8 |
| 6a (CH3) | 16.9 |
