Spektraris NMR
3-O-(2-Methoxy-3-methylbut-3-enyl)-emodin
Common Name: 3-O-(2-Methoxy-3-methylbut-3-enyl)-emodin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H20O6/c1-10(2)17(26-4)9-27-12-7-14-19(16(23)8-12)21(25)18-13(20(14)24)5-11(3)6-15(18)22/h5-8,17,22-23H,1,9H2,2-4H3
InChIKey: InChIKey=TTZZEQICBDRDET-UHFFFAOYSA-N
Formula: C21H20O6
Molecular Weight: 368.380698
Exact Mass: 368.125988
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Bilia, A.R.,Yusuf, A.W.,Braca, A.,Keita, A.,Morelli, I. J Nat Prod (2000) 63, 16-21
Species:
Notes: Family : Aromatics, Type : Anthraquinones, Group : Anthraquinones; 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) | 165.4 |
| 2 (CH) | 124.9 |
| 3 (C) | 148.8 |
| 4 (CH) | 119 |
| 4a (C) | 136 |
| 5 (CH) | 108.2 |
| 6 (C) | 163 |
| 7 (CH) | 109.5 |
| 8 (C) | 166.4 |
| 8a (C) | 111.2 |
| 9 (C) | 192 |
| 9a (C) | 114.3 |
| 10 (C) | 182 |
| 10a (C) | 133.6 |
| 3a (CH2) | 72.8 |
| 3b (CH) | 76 |
| 3c (C) | 144.6 |
| 3d (CH2) | 113.1 |
| 3e (CH3) | 19.3 |
| 3ba (CH3) | 58.8 |
| 6a (CH3) | 22.5 |
