Common Name: 2-hydroxy-3-(hydroxymethyl)anthraquinone
Synonyms: 2-hydroxy-3-(hydroxymethyl)anthraquinone
CAS Registry Number:
InChI: InChI=1S/C15H10O4/c16-7-8-5-11-12(6-13(8)17)15(19)10-4-2-1-3-9(10)14(11)18/h1-6,16-17H,7H2
InChIKey: InChIKey=LMXDYBJTJGPZPD-UHFFFAOYSA-N
Formula: C15H10O4
Molecular Weight: 254.238066
Exact Mass: 254.057909
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Wu, Y.B., Zheng, C.J., Qin, L.P., Sun, L.N., Han, T., Jiao, L., Zhang, Q.Y., Wu, J.Z. Molecules (2009) 14, 573-83
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)
Position | PPM |
---|---|
1 (CH) | 126.2 |
2 (C) | 125 |
3 (C) | 159.6 |
4 (CH) | 111.2 |
4a (C) | 133.2 |
5 (CH) | 126.5 |
6 (CH) | 133.8 |
7 (CH) | 134.3 |
8 (CH) | 126.5 |
8a (C) | 133 |
9 (C) | 181.4 |
9a (C) | 125 |
10 (C) | 182.5 |
10a (C) | 136.3 |
2a (CH2) | 57.7 |