(7S,9S)-9-ethanoyl-7-[3-(2-iodanylethyl)-5-methyl-4-oxidanyl-cyclohexyl]oxy-4-methoxy-6,9,11-tris(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione

Systemtic Name: (7S,9S)-9-ethanoyl-7-[3-(2-iodanylethyl)-5-methyl-4-oxidanyl-cyclohexyl]oxy-4-methoxy-6,9,11-tris(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione Openeye Name: (7S,9S)-9-acetyl-6,9,11-trihydroxy-7-[4-hydroxy-3-(2-iodoethyl)-5-methyl-cyclohexoxy]-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione CAS Name: (7S,9S)-9-acetyl-6,9,11-trihydroxy-7-[4-hydroxy-3-(2-iodoethyl)-5-methylcyclohexyl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione IUPAC Name: (7S,9S)-9-acetyl-6,9,11-trihydroxy-7-[4-hydroxy-3-(2-iodoethyl)-5-methylcyclohexyl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione Traditional Name: (7S,9S)-9-acetyl-6,9,11-trihydroxy-7-[4-hydroxy-3-(2-iodoethyl)-5-methyl-cyclohexoxy]-4-methoxy-8,10-dihydro-7H-tetracene-5,12-quinone Formula: C30H33IO9 MolecularWeight: 664.48209

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1O)CCI)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)C)O

Isomeric SMILES

CC1CC(CC(C1O)CCI)O[C@H]2C[C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)C)O

InChI

InChI=1S/C30H33IO9/c1-13-9-16(10-15(7-8-31)25(13)33)40-20-12-30(38,14(2)32)11-18-22(20)29(37)24-23(27(18)35)26(34)17-5-4-6-19(39-3)21(17)28(24)36/h4-6,13,15-16,20,25,33,35,37-38H,7-12H2,1-3H3/t13?,15?,16?,20-,25?,30-/m0/s1