Spektraris NMR

Common Name: 9H-Xanthene-4-sulfonic acid, 1,3-dihydroxy-5-methoxy-9-oxo-

Synonyms: 9H-Xanthene-4-sulfonic acid, 1,3-dihydroxy-5-methoxy-9-oxo-

CAS Registry Number:

InChI: InChI=1S/C14H10O8S/c1-21-9-4-2-3-6-11(17)10-7(15)5-8(16)14(23(18,19)20)13(10)22-12(6)9/h2-5,15-16H,1H3,(H,18,19,20)

InChIKey: InChIKey=HPSOBMUVBIZAGH-UHFFFAOYSA-N

Formula: C14H10O8S1

Molecular Weight: 338.291034

Exact Mass: 338.009638

NMR Solvent: DMSO-d6

MHz:

Calibration:

NMR references: 13C - Hong, D., Yin, F., Hu, L.H., Lu, P. Phytochemistry (2004) 65, 2595-8

Species:

Notes: Family : Aromatics, Type : Xanthones; 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)