1-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-5-methoxy-3,4-bis(oxidanyl)oxan-2-yl]oxy-8-oxidanyl-anthracene-9,10-dione

Systemtic Name: 1-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-5-methoxy-3,4-bis(oxidanyl)oxan-2-yl]oxy-8-oxidanyl-anthracene-9,10-dione Openeye Name: 1-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxy-tetrahydropyran-2-yl]oxy-8-hydroxy-anthracene-9,10-dione CAS Name: 1-[[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxy-2-oxanyl]oxy]-8-hydroxyanthracene-9,10-dione IUPAC Name: 1-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-8-hydroxyanthracene-9,10-dione Traditional Name: 1-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-5-methoxy-6-methylol-tetrahydropyran-2-yl]oxy-8-hydroxy-9,10-anthraquinone Formula: C21H20O9 MolecularWeight: 416.3781

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(OC(C(C1O)O)OC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4O)CO

Isomeric SMILES

CO[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1O)O)OC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4O)CO

InChI

InChI=1S/C21H20O9/c1-28-20-13(8-22)30-21(19(27)18(20)26)29-12-7-3-5-10-15(12)17(25)14-9(16(10)24)4-2-6-11(14)23/h2-7,13,18-23,26-27H,8H2,1H3/t13-,18-,19-,20-,21-/m1/s1