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

Systemtic Name: (7S,9S)-9-ethanoyl-7-[4-[2-hydroxyethyl-(phenylmethyl)amino]-6-methyl-5-oxidanyl-oxan-2-yl]oxy-4-methoxy-6,9,11-tris(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride Openeye Name: (7S,9S)-9-acetyl-7-[4-[benzyl(2-hydroxyethyl)amino]-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride CAS Name: (7S,9S)-9-acetyl-6,9,11-trihydroxy-7-[[5-hydroxy-4-[2-hydroxyethyl-(phenylmethyl)amino]-6-methyl-2-oxanyl]oxy]-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride IUPAC Name: (7S,9S)-9-acetyl-7-[4-[benzyl(2-hydroxyethyl)amino]-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride Traditional Name: (7S,9S)-9-acetyl-7-[4-[benzyl(2-hydroxyethyl)amino]-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-quinone hydrochloride Formula: C36H40ClNO11 MolecularWeight: 698.1559

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)C)O)N(CCO)CC6=CC=CC=C6)O.Cl

Isomeric SMILES

CC1C(C(CC(O1)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)N(CCO)CC6=CC=CC=C6)O.Cl

InChI

InChI=1S/C36H39NO11.ClH/c1-18-31(40)23(37(12-13-38)17-20-8-5-4-6-9-20)14-26(47-18)48-25-16-36(45,19(2)39)15-22-28(25)35(44)30-29(33(22)42)32(41)21-10-7-11-24(46-3)27(21)34(30)43;/h4-11,18,23,25-26,31,38,40,42,44-45H,12-17H2,1-3H3;1H/t18?,23?,25-,26?,31?,36-;/m0./s1