1-[(2S,4S)-7-methoxy-4-[(2R,4S,5S,6S)-6-methyl-4-(2-methylpropylamino)-5-oxidanyl-oxan-2-yl]oxy-2,5,6,11,12-pentakis(oxidanyl)-3,4-dihydro-1H-tetracen-2-yl]ethanone

Systemtic Name: 1-[(2S,4S)-7-methoxy-4-[(2R,4S,5S,6S)-6-methyl-4-(2-methylpropylamino)-5-oxidanyl-oxan-2-yl]oxy-2,5,6,11,12-pentakis(oxidanyl)-3,4-dihydro-1H-tetracen-2-yl]ethanone Openeye Name: 1-[(2S,4S)-2,5,6,11,12-pentahydroxy-4-[(2R,4S,5S,6S)-5-hydroxy-4-(isobutylamino)-6-methyl-tetrahydropyran-2-yl]oxy-7-methoxy-3,4-dihydro-1H-tetracen-2-yl]ethanone CAS Name: 1-[(2S,4S)-2,5,6,11,12-pentahydroxy-4-[[(2R,4S,5S,6S)-5-hydroxy-6-methyl-4-(2-methylpropylamino)-2-oxanyl]oxy]-7-methoxy-3,4-dihydro-1H-tetracen-2-yl]ethanone IUPAC Name: 1-[(2S,4S)-2,5,6,11,12-pentahydroxy-4-[(2R,4S,5S,6S)-5-hydroxy-6-methyl-4-(2-methylpropylamino)oxan-2-yl]oxy-7-methoxy-3,4-dihydro-1H-tetracen-2-yl]ethanone Traditional Name: 1-[(2S,4S)-2,5,6,11,12-pentahydroxy-4-[(2R,4S,5S,6S)-5-hydroxy-4-(isobutylamino)-6-methyl-tetrahydropyran-2-yl]oxy-7-methoxy-3,4-dihydro-1H-tetracen-2-yl]ethanone Formula: C31H39NO10 MolecularWeight: 585.64206

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C5=C(C(=CC=C5)OC)C(=C4C(=C23)O)O)O)O)(C(=O)C)O)NCC(C)C)O

Isomeric SMILES

C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C(C4=C(C5=C(C(=CC=C5)OC)C(=C4C(=C23)O)O)O)O)(C(=O)C)O)NCC(C)C)O

InChI

InChI=1S/C31H39NO10/c1-13(2)12-32-18-9-21(41-14(3)26(18)34)42-20-11-31(39,15(4)33)10-17-23(20)30(38)25-24(28(17)36)27(35)16-7-6-8-19(40-5)22(16)29(25)37/h6-8,13-14,18,20-21,26,32,34-39H,9-12H2,1-5H3/t14-,18-,20-,21-,26+,31-/m0/s1