(7S,9S)-7-(4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl)oxy-9-(hydroxyiminomethyl)-4-methoxy-6,9,11-tris(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride

Systemtic Name: (7S,9S)-7-(4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl)oxy-9-(hydroxyiminomethyl)-4-methoxy-6,9,11-tris(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride Openeye Name: (2S,4S)-4-(4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracene-2-carbaldehyde oxime hydrochloride CAS Name: (2S,4S)-4-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracene-2-carboxaldehyde oxime hydrochloride IUPAC Name: (7S,9S)-7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-9-(hydroxyiminomethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride Traditional Name: (2S,4S)-4-(4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-2,5,12-trihydroxy-6,11-diketo-7-methoxy-3,4-dihydro-1H-tetracene-2-carbaldehyde oxime hydrochloride Formula: C26H29ClN2O10 MolecularWeight: 564.96886

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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=NO)O)N)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=NO)O)N)O.Cl

InChI

InChI=1S/C26H28N2O10.ClH/c1-10-21(29)13(27)6-16(37-10)38-15-8-26(34,9-28-35)7-12-18(15)25(33)20-19(23(12)31)22(30)11-4-3-5-14(36-2)17(11)24(20)32;/h3-5,9-10,13,15-16,21,29,31,33-35H,6-8,27H2,1-2H3;1H/t10?,13?,15-,16?,21?,26-;/m0./s1