3,5,8-trimethoxy-1-methyl-9,10-bis(oxidanylidene)-7-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]anthracene-2-carboxylic acid

Systemtic Name: 3,5,8-trimethoxy-1-methyl-9,10-bis(oxidanylidene)-7-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]anthracene-2-carboxylic acid Openeye Name: 3,5,8-trimethoxy-1-methyl-9,10-dioxo-7-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]anthracene-2-carboxylic acid CAS Name: 3,5,8-trimethoxy-1-methyl-9,10-dioxo-7-[3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]-2-anthracenecarboxylic acid IUPAC Name: 3,5,8-trimethoxy-1-methyl-9,10-dioxo-7-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]anthracene-2-carboxylic acid Traditional Name: 9,10-diketo-3,5,8-trimethoxy-1-methyl-7-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]anthracene-2-carboxylic acid Formula: C33H34O16 MolecularWeight: 686.61346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1C(=O)O)OC)C(=O)C3=C(C=C(C(=C3C2=O)OC)C4C(C(C(C(O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC

Isomeric SMILES

CC1=C2C(=CC(=C1C(=O)O)OC)C(=O)C3=C(C=C(C(=C3C2=O)OC)C4C(C(C(C(O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC

InChI

InChI=1S/C33H34O16/c1-12-22-17(9-19(42-6)23(12)33(40)41)26(38)24-20(43-7)10-18(28(44-8)25(24)27(22)39)29-31(47-15(4)36)32(48-16(5)37)30(46-14(3)35)21(49-29)11-45-13(2)34/h9-10,21,29-32H,11H2,1-8H3,(H,40,41)