(7R,9S)-7-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-4-methoxy-6,9,11-tris(oxidanyl)-9-(2-oxidanylethanoyl)-8,10-dihydro-7H-tetracene-5,12-dione

Systemtic Name: (7R,9S)-7-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-4-methoxy-6,9,11-tris(oxidanyl)-9-(2-oxidanylethanoyl)-8,10-dihydro-7H-tetracene-5,12-dione Openeye Name: (7R,9S)-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione CAS Name: (7R,9S)-7-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]oxy]-6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione IUPAC Name: (7R,9S)-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione Traditional Name: (7R,9S)-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]oxy-9-glycoloyl-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-quinone Formula: C26H26O13 MolecularWeight: 546.47684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C(=O)C3=C(C2=O)C(=C4CC(CC(C4=C3O)OC5C(C(C(O5)CO)O)O)(C(=O)CO)O)O

Isomeric SMILES

COC1=CC=CC2=C1C(=O)C3=C(C2=O)C(=C4C[C@](C[C@H](C4=C3O)O[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O)(C(=O)CO)O)O

InChI

InChI=1S/C26H26O13/c1-37-11-4-2-3-9-15(11)22(33)18-17(19(9)30)20(31)10-5-26(36,14(29)8-28)6-12(16(10)23(18)34)38-25-24(35)21(32)13(7-27)39-25/h2-4,12-13,21,24-25,27-28,31-32,34-36H,5-8H2,1H3/t12-,13-,21-,24-,25-,26+/m1/s1