Spektraris NMR
2,5-Dimethoxyspongiaquinone
Common Name: 2,5-Dimethoxyspongiaquinone
Synonyms: 2,5-Dimethoxyspongiaquinone
CAS Registry Number:
InChI: InChI=1S/C23H32O4/c1-14-8-9-19-22(2,3)10-7-11-23(19,4)16(14)12-15-20(25)18(26-5)13-17(24)21(15)27-6/h12-14,19H,7-11H2,1-6H3/b16-12+/t14-,19-,23+/m0/s1
InChIKey: InChIKey=VWAVUCLIJXDFRC-GGSVNMQBSA-N
Formula: C23H32O4
Molecular Weight: 372.498649
Exact Mass: 372.23006
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Bernet, A., Schroder, J., Seifert, K. Helv Chim Acta (2003) 86, 2009-20
Species:
Notes: Family : Terpenoids, Type : Merosesquiterpenoids, Group : Drimanes; 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 (CH2) | 38.5 |
| 2 (CH2) | 18.7 |
| 3 (CH2) | 41.9 |
| 4 (C) | 33.9 |
| 5 (CH) | 54.3 |
| 6 (CH2) | 17.6 |
| 7 (CH2) | 33.6 |
| 8 (CH) | 32.8 |
| 9 (C) | 161.7 |
| 10 (C) | 41.1 |
| 11 (CH) | 108.8 |
| 12 (CH3) | 21.5 |
| 13 (CH3) | 33.3 |
| 14 (CH3) | 21.8 |
| 15 (CH3) | 22.3 |
| 1' (C) | 124 |
| 2' (C) | 182.3 |
| 3' (C) | 159 |
| 4' (CH) | 105.2 |
| 5' (C) | 183.2 |
| 6' (C) | 154.5 |
| 2'a (CH3) | 61 |
| 5'a (CH3) | 56.4 |
