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/C20H18O6/c1-9(2)16(23)8-26-11-6-13-18(15(22)7-11)20(25)17-12(19(13)24)4-10(3)5-14(17)21/h4-7,16,21-23H,1,8H2,2-3H3
InChIKey: InChIKey=BKCGNJDWDKBYRH-UHFFFAOYSA-N
Formula: C20H18O6
Molecular Weight: 354.354081
Exact Mass: 354.110338
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) | 165.5 |
| 2 (CH) | 124.7 |
| 3 (C) | 148.9 |
| 4 (CH) | 119.1 |
| 4a (C) | 136 |
| 5 (CH) | 108 |
| 6 (C) | 163.1 |
| 7 (CH) | 109.5 |
| 8 (C) | 166.3 |
| 8a (C) | 111 |
| 9 (C) | 192.1 |
| 9a (C) | 114.5 |
| 10 (C) | 181.9 |
| 10a (C) | 133.6 |
| 3a (CH2) | 73.5 |
| 3b (CH) | 74.2 |
| 3c (C) | 145.7 |
| 3d (CH2) | 112.9 |
| 3e (CH3) | 19 |
| 6a (CH3) | 22.3 |
