(7S,9S)-7-[(2R,4S,5S,6S)-4-(dodecylamino)-6-methyl-5-oxidanyl-oxan-2-yl]oxy-9-ethanoyl-4-methoxy-6,9,11-tris(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione

Systemtic Name: (7S,9S)-7-[(2R,4S,5S,6S)-4-(dodecylamino)-6-methyl-5-oxidanyl-oxan-2-yl]oxy-9-ethanoyl-4-methoxy-6,9,11-tris(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione Openeye Name: (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-(dodecylamino)-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione CAS Name: (7S,9S)-9-acetyl-7-[[(2R,4S,5S,6S)-4-(dodecylamino)-5-hydroxy-6-methyl-2-oxanyl]oxy]-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione IUPAC Name: (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-(dodecylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione Traditional Name: (7S,9S)-9-acetyl-6,9,11-trihydroxy-7-[(2R,4S,5S,6S)-5-hydroxy-4-(laurylamino)-6-methyl-tetrahydropyran-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-quinone Formula: C39H53NO10 MolecularWeight: 695.83882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC1CC(OC(C1O)C)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)C)O

Isomeric SMILES

CCCCCCCCCCCCN[C@H]1C[C@@H](O[C@H]([C@H]1O)C)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/C39H53NO10/c1-5-6-7-8-9-10-11-12-13-14-18-40-26-19-29(49-22(2)34(26)42)50-28-21-39(47,23(3)41)20-25-31(28)38(46)33-32(36(25)44)35(43)24-16-15-17-27(48-4)30(24)37(33)45/h15-17,22,26,28-29,34,40,42,44,46-47H,5-14,18-21H2,1-4H3/t22-,26-,28-,29-,34+,39-/m0/s1