1-Methoxy-3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid methyl ester

1-Methoxy-3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid methyl ester

Common Name: 1-Methoxy-3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid methyl ester

Synonyms: 1-Methoxy-3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid methyl ester

CAS Registry Number:

InChI: InChI=1S/C17H12O6/c1-22-16-12-10(7-11(18)13(16)17(21)23-2)14(19)8-5-3-4-6-9(8)15(12)20/h3-7,18H,1-2H3

InChIKey: InChIKey=IPQHMSMORNOLGV-UHFFFAOYSA-N

Formula: C17H12O6

Molecular Weight: 312.274229

Exact Mass: 312.063388

NMR Solvent: DMSO-d6

MHz:

Calibration:

NMR references: 13C - Ling, S.K., Komorita, A., Tanaka, T., Fujioka, T., Mihashi, K., Kouno, I. Chem Pharm Bull (2002) 50, 1035-40

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) 159.5
2 (C) 123.3
3 (C) 159.6
4 (CH) 110.1
4a (C) 136.9
5 (CH) 126.3
6 (CH) 134.7
7 (CH) 133.6
8 (CH) 126.7
8a (C) 132
9 (C) 179.6
9a (C) 117.7
10 (C) 182.1
10a (C) 134.3
1a (CH3) 62.6
2a (C) 164.9
2b (CH3) 52.4