[2-(but-3-enoyloxymethyl)-2-methyl-5-oxidanylidene-oct-7-enyl] (E)-4-[9-ethanoyl-5-methyl-1,6,10,10a,12-pentakis(oxidanyl)-8,11-bis(oxidanylidene)-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]but-3-enoate

Systemtic Name: [2-(but-3-enoyloxymethyl)-2-methyl-5-oxidanylidene-oct-7-enyl] (E)-4-[9-ethanoyl-5-methyl-1,6,10,10a,12-pentakis(oxidanyl)-8,11-bis(oxidanylidene)-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]but-3-enoate Openeye Name: [2-(but-3-enoyloxymethyl)-2-methyl-5-oxo-oct-7-enyl] (E)-4-(9-acetyl-1,6,10,10a,12-pentahydroxy-5-methyl-8,11-dioxo-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl)but-3-enoate CAS Name: (E)-4-(9-acetyl-1,6,10,10a,12-pentahydroxy-5-methyl-8,11-dioxo-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl)-3-butenoic acid [2-methyl-5-oxo-2-(1-oxobut-3-enoxymethyl)oct-7-enyl] ester IUPAC Name: [2-(but-3-enoyloxymethyl)-2-methyl-5-oxooct-7-enyl] (E)-4-(9-acetyl-1,6,10,10a,12-pentahydroxy-5-methyl-8,11-dioxo-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl)but-3-enoate Traditional Name: (E)-4-(9-acetyl-1,6,10,10a,12-pentahydroxy-8,11-diketo-5-methyl-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl)but-3-enoic acid [2-(but-3-enoyloxymethyl)-5-keto-2-methyl-oct-7-enyl] ester Formula: C39H44O13 MolecularWeight: 720.75886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C3CC(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC(=C4O)C=CCC(=O)OCC(C)(CCC(=O)CC=C)COC(=O)CC=C)O)O)O)C(=O)C)O

Isomeric SMILES

CC1C2C(C3CC(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC(=C4O)/C=C/CC(=O)OCC(C)(CCC(=O)CC=C)COC(=O)CC=C)O)O)O)C(=O)C)O

InChI

InChI=1S/C39H44O13/c1-6-9-23(41)15-16-38(5,18-51-27(43)10-7-2)19-52-28(44)12-8-11-22-13-14-24-20(3)29-32(35(47)31(24)33(22)45)37(49)39(50)25(34(29)46)17-26(42)30(21(4)40)36(39)48/h6-8,11,13-14,20,25,29,34,45-48,50H,1-2,9-10,12,15-19H2,3-5H3/b11-8+