3,3'-(1,4-Phenylenebis(methyleneimino))bis((1S,3S)-3-acetyl-1,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1-naphthacenyl 2,3,6-trideoxy-alpha-L-lyxo-Hexopyranoside
[CAS# 186131-38-4]

Identification

• Name: 3,3'-(1,4-Phenylenebis(methyleneimino))bis((1S,3S)-3-acetyl-1,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1-naphthacenyl 2,3,6-trideoxy-alpha-L-lyxo-Hexopyranoside
• Synonyms: (7S,9S)-9-Acetyl-7-[(2R,4S,5S,6S)-4-[[4-[[[(2S,3S,4S,6R)-6-[[(1S,3S)-3-Acetyl-3,5,12-Trihydroxy-10-Methoxy-6,11-Dioxo-2,4-Dihydro-1H-Tetracen-1-Yl]Oxy]-3-Hydroxy-2-Methyl-Tetrahydropyran-4-Yl]Amino]Methyl]Phenyl]Methylamino]-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione; (7S,9S)-9-Acetyl-7-[[(2R,4S,5S,6S)-4-[[4-[[[(2S,3S,4S,6R)-6-[[(1S,3S)-3-Acetyl-3,5,12-Trihydroxy-10-Methoxy-6,11-Dioxo-2,4-Dihydro-1H-Tetracen-1-Yl]Oxy]-3-Hydroxy-2-Methyl-4-Tetrahydropyranyl]Amino]Methyl]Phenyl]Methylamino]-5-Hydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione; (7S,9S)-9-Acetyl-7-[(2R,4S,5S,6S)-4-[[4-[[[(2S,3S,4S,6R)-6-[[(1S,3S)-3-Acetyl-3,5,12-Trihydroxy-6,11-Diketo-10-Methoxy-2,4-Dihydro-1H-Tetracen-1-Yl]Oxy]-3-Hydroxy-2-Methyl-Tetrahydropyran-4-Yl]Amino]Methyl]Benzyl]Amino]-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Quinone
• Molecular Formula: C₆₂H₆₄N₂O₂₀
• Molecular Weight: 1157.19
• CAS Registry Number: 186131-38-4
• SMILES: [C@@H]9(O[C@@H]7O[C@H]([C@@H](O)[C@@H](NCC6=CC=C(CN[C@H]5C[C@H](O[C@@H]2C1=C(O)C4=C(C(=C1C[C@](O)(C2)C(=O)C)O)C(=O)C3=CC=CC(=C3C4=O)OC)O[C@H]([C@H]5O)C)C=C6)C7)C)C8=C(O)C%10=C(C(=C8C[C@](O)(C9)C(=O)C)O)C(=O)C%11=C(C%10=O)C(=CC=C%11)OC
• InChI: 1S/C62H64N2O20/c1-25-51(67)35(17-41(81-25)83-39-21-61(77,27(3)65)19-33-45(39)59(75)49-47(55(33)71)53(69)31-9-7-11-37(79-5)43(31)57(49)73)63-23-29-13-15-30(16-14-29)24-64-36-18-42(82-26(2)52(36)68)84-40-22-62(78,28(4)66)20-34-46(40)60(76)50-48(56(34)72)54(70)32-10-8-12-38(80-6)44(32)58(50)74/h7-16,25-26,35-36,39-42,51-52,63-64,67-68,71-72,75-78H,17-24H2,1-6H3/t25-,26-,35-,36-,39-,40-,41-,42-,51+,52+,61-,62-/m0/s1
• InChIKey: HTOLWQNKVYAHLB-MJSRGEEMSA-N

Properties

• Density: 1.575g/cm³ (Cal.)