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

Systemtic Name: (7S,9S)-7-[(2R,4S,5S,6S)-4-azanyl-5-[(2S,4S,5S,6S)-4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl]oxy-6-methyl-oxan-2-yl]oxy-9-ethanoyl-4-methoxy-6,9,11-tris(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione dihydrochloride Openeye Name: (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione dihydrochloride CAS Name: (7S,9S)-9-acetyl-7-[[(2R,4S,5S,6S)-4-amino-5-[[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-2-oxanyl]oxy]-6-methyl-2-oxanyl]oxy]-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione dihydrochloride IUPAC Name: (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione dihydrochloride Traditional Name: (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-quinone dihydrochloride Formula: C33H42Cl2N2O12 MolecularWeight: 729.59878

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(O1)OC2C(OC(CC2N)OC3CC(CC4=C(C5=C(C(=C34)O)C(=O)C6=C(C5=O)C=CC=C6OC)O)(C(=O)C)O)C)N)O.Cl.Cl

Isomeric SMILES

C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@@H](O[C@H](C[C@@H]2N)O[C@H]3C[C@@](CC4=C(C5=C(C(=C34)O)C(=O)C6=C(C5=O)C=CC=C6OC)O)(C(=O)C)O)C)N)O.Cl.Cl

InChI

InChI=1S/C33H40N2O12.2ClH/c1-12-27(37)17(34)8-22(44-12)47-32-13(2)45-21(9-18(32)35)46-20-11-33(42,14(3)36)10-16-24(20)31(41)26-25(29(16)39)28(38)15-6-5-7-19(43-4)23(15)30(26)40;;/h5-7,12-13,17-18,20-22,27,32,37,39,41-42H,8-11,34-35H2,1-4H3;2*1H/t12-,13-,17-,18-,20-,21-,22-,27+,32+,33-;;/m0../s1