Spektraris NMR
Emodin
Common Name: Emodin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3
InChIKey: InChIKey=RHMXXJGYXNZAPX-UHFFFAOYSA-N
Formula: C15H10O5
Molecular Weight: 270.237471
Exact Mass: 270.052823
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ren, H., Tian, L., Gu, Q., Zhu, W. Arch Pharm Res (2006) 29, 59-63
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) | 165.6 |
| 2 (CH) | 107.9 |
| 3 (C) | 161.4 |
| 4 (CH) | 108.8 |
| 4a (C) | 132.8 |
| 5 (CH) | 124.2 |
| 6 (C) | 148.3 |
| 7 (CH) | 120.5 |
| 8 (C) | 164.5 |
| 8a (C) | 109 |
| 9 (C) | 189.8 |
| 9a (C) | 113.4 |
| 10 (C) | 181.4 |
| 10a (C) | 135.1 |
| 6a (CH3) | 21.6 |
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The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.