Spektraris NMR

Common Name: 1,4,5,6,7,9-Hexahydroxy-2-methoxy-7-methyl-5b,9b,8ab,6a,10aa-hexahydroanthracen-10 (10aH)-one

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C16H20O8/c1-16(23)4-5-8(14(21)15(16)22)13(20)9-6(17)3-7(24-2)12(19)10(9)11(5)18/h3,5,8,11,14-15,17-19,21-23H,4H2,1-2H3/t5-,8-,11-,14-,15+,16-/m0/s1

InChIKey: InChIKey=BECCUNGYVJUQCO-CCAKZRNXSA-N

Formula: C16H20O8

Molecular Weight: 340.325829

Exact Mass: 340.115818

NMR Solvent: DMSO-d6

MHz:

Calibration:

NMR references: 13C - Xia, X.K., Huang, H.R., She, Z.G., Shao, C.L., Liu, F., Cai, X.L., Vrijmoed, L.L., Lin, Y.C. Magn Reson Chem (2007) 45, 1006-9

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)