2-hydroxy-3-(hydroxymethyl)anthraquinone

2-hydroxy-3-(hydroxymethyl)anthraquinone

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)

Carbon NMR Peaks

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