Spektraris NMR
5-(4,7-Dimethoxy-1,3-benzodioxol-5-yl)-2,3-dimethoxy-7-methyl-1,4-naphthoquinone
Common Name: 5-(4,7-Dimethoxy-1,3-benzodioxol-5-yl)-2,3-dimethoxy-7-methyl-1,4-naphthoquinone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H20O8/c1-10-6-11(12-8-14(25-2)19-22(18(12)26-3)30-9-29-19)15-13(7-10)16(23)20(27-4)21(28-5)17(15)24/h6-8H,9H2,1-5H3
InChIKey: InChIKey=RSTPRMGBQYZTAD-UHFFFAOYSA-N
Formula: C22H20O8
Molecular Weight: 412.390244
Exact Mass: 412.115818
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shen, C.C., Shen, Y.C., Wang, Y.H., Lin, L.C., Don, M.J., Liou, K.T., Wang, W.Y., Hou, Y.C., Chang, T.T. Planta Med (2006) 72, 199-203
Species:
Notes: Family : Aromatics, Type : Naphthalenes, Group : Naphthoquinones; 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) | 182.4 |
| 2 (C) | 145.9 |
| 3 (C) | 148.1 |
| 4 (C) | 181.6 |
| 5 (C) | 138.6 |
| 6 (CH) | 138 |
| 7 (C) | 143.5 |
| 8 (CH) | 126.6 |
| 9 (C) | 131.6 |
| 10 (C) | 127.1 |
| 1' (C) | 127.2 |
| 2' (C) | 135.1 |
| 3' (C) | 138.2 |
| 4' (C) | 136.5 |
| 5' (C) | 139 |
| 6' (CH) | 107.8 |
| 2a (CH3) | 61.2 |
| 3a (CH3) | 61.1 |
| 7a (CH3) | 21.5 |
| 2'a (CH3) | 59.8 |
| 3'a (CH2) | 101.7 |
| 5'a (CH3) | 56.9 |
