N-[(2S,3S,4S,6R)-3-Hydroxy-2-Methyl-6-[[(1S,3S)-3,5,12-Trihydroxy-3-(2-Hydroxyacetyl)-10-Methoxy-6,11-Dioxo-2,4-Dihydro-1H-Tetracen-1-Yl]Oxy]Oxan-4-Yl]-2-(4-Hydroxyphenoxy)Acetamide
[CAS# 131089-08-2]

Identification

• Name: N-[(2S,3S,4S,6R)-3-Hydroxy-2-Methyl-6-[[(1S,3S)-3,5,12-Trihydroxy-3-(2-Hydroxyacetyl)-10-Methoxy-6,11-Dioxo-2,4-Dihydro-1H-Tetracen-1-Yl]Oxy]Oxan-4-Yl]-2-(4-Hydroxyphenoxy)Acetamide
• Synonyms: N-[(2S,3S,4S,6R)-3-Hydroxy-2-Methyl-6-[[(1S,3S)-3,5,12-Trihydroxy-3-(2-Hydroxyacetyl)-10-Methoxy-6,11-Dioxo-2,4-Dihydro-1H-Tetracen-1-Yl]Oxy]Tetrahydropyran-4-Yl]-2-(4-Hydroxyphenoxy)Acetamide; N-[(2S,3S,4S,6R)-3-Hydroxy-2-Methyl-6-[[(1S,3S)-3,5,12-Trihydroxy-3-(2-Hydroxy-1-Oxoethyl)-10-Methoxy-6,11-Dioxo-2,4-Dihydro-1H-Tetracen-1-Yl]Oxy]-4-Tetrahydropyranyl]-2-(4-Hydroxyphenoxy)Acetamide; N-[(2S,3S,4S,6R)-6-[[(1S,3S)-3-Glycoloyl-3,5,12-Trihydroxy-6,11-Diketo-10-Methoxy-2,4-Dihydro-1H-Tetracen-1-Yl]Oxy]-3-Hydroxy-2-Methyl-Tetrahydropyran-4-Yl]-2-(4-Hydroxyphenoxy)Acetamide
• Molecular Formula: C₃₅H₃₅NO₁₄
• Molecular Weight: 693.66
• CAS Registry Number: 131089-08-2
• SMILES: [C@@H]4(O[C@@H]2O[C@H]([C@@H](O)[C@@H](NC(=O)COC1=CC=C(O)C=C1)C2)C)C3=C(O)C6=C(C(=C3C[C@](O)(C4)C(=O)CO)O)C(=O)C5=CC=CC(=C5C6=O)OC
• InChI: 1S/C35H35NO14/c1-15-30(41)20(36-24(40)14-48-17-8-6-16(38)7-9-17)10-25(49-15)50-22-12-35(46,23(39)13-37)11-19-27(22)34(45)29-28(32(19)43)31(42)18-4-3-5-21(47-2)26(18)33(29)44/h3-9,15,20,22,25,30,37-38,41,43,45-46H,10-14H2,1-2H3,(H,36,40)/t15-,20-,22-,25-,30+,35-/m0/s1
• InChIKey: GNIACNJUQXXBPR-BPESXHNNSA-N

Properties

• Density: 1.613g/cm³ (Cal.)
• Boiling point: 1012.874°C at 760 mmHg (Cal.)
• Flash point: 566.366°C (Cal.)