methyl 7-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-3,5,6,8-tetramethoxy-1-methyl-9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: methyl 7-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-3,5,6,8-tetramethoxy-1-methyl-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: methyl 3,5,6,8-tetramethoxy-1-methyl-9,10-dioxo-7-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]anthracene-2-carboxylate CAS Name: 3,5,6,8-tetramethoxy-1-methyl-9,10-dioxo-7-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-2-anthracenecarboxylic acid methyl ester IUPAC Name: methyl 3,5,6,8-tetramethoxy-1-methyl-9,10-dioxo-7-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracene-2-carboxylate Traditional Name: 9,10-diketo-3,5,6,8-tetramethoxy-1-methyl-7-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]anthracene-2-carboxylic acid methyl ester Formula: C27H30O13 MolecularWeight: 562.5193

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1C(=O)OC)OC)C(=O)C3=C(C2=O)C(=C(C(=C3OC)OC)C4C(C(C(C(O4)CO)O)O)O)OC

Isomeric SMILES

CC1=C2C(=CC(=C1C(=O)OC)OC)C(=O)C3=C(C2=O)C(=C(C(=C3OC)OC)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC

InChI

InChI=1S/C27H30O13/c1-9-13-10(7-11(35-2)14(9)27(34)39-6)18(29)15-16(20(13)31)23(36-3)17(26(38-5)25(15)37-4)24-22(33)21(32)19(30)12(8-28)40-24/h7,12,19,21-22,24,28,30,32-33H,8H2,1-6H3/t12-,19-,21+,22-,24+/m1/s1