Dactylocycline B
[CAS# 125622-13-1]

Identification

• Name: Dactylocycline B
• Synonyms: (2Z)-2-(Amino-Hydroxy-Methylene)-7-Chloro-4-Dimethylamino-4A,10,11,12A-Tetrahydroxy-8-Methoxy-6-(5-Methoxy-4,6-Dimethyl-4-Nitro-Tetrahydropyran-2-Yl)Oxy-6-Methyl-5,5A-Dihydro-4H-Tetracene-1,3,12-Trione; (2Z)-2-(Amino-Hydroxymethylene)-7-Chloro-4-Dimethylamino-4A,10,11,12A-Tetrahydroxy-8-Methoxy-6-[(5-Methoxy-4,6-Dimethyl-4-Nitro-2-Tetrahydropyranyl)Oxy]-6-Methyl-5,5A-Dihydro-4H-Tetracene-1,3,12-Trione; (2Z)-2-(Amino-Hydroxy-Methylidene)-7-Chloro-4-Dimethylamino-4A,10,11,12A-Tetrahydroxy-8-Methoxy-6-(5-Methoxy-4,6-Dimethyl-4-Nitro-Oxan-2-Yl)Oxy-6-Methyl-5,5A-Dihydro-4H-Tetracene-1,3,12-Trione
• Molecular Formula: C₃₁H₃₈ClN₃O₁₄
• Molecular Weight: 712.11
• CAS Registry Number: 125622-13-1
• SMILES: C5=C(O)C3=C(C(OC1OC(C(OC)C([N+]([O-])=O)(C1)C)C)(C2CC4(O)C(O)(C(=O)C2=C3O)C(=O)\C(C(=O)C4N(C)C)=C(/O)N)C)C(=C5OC)Cl
• InChI: 1S/C31H38ClN3O14/c1-11-26(47-7)28(2,35(44)45)10-15(48-11)49-29(3)12-9-30(42)23(34(4)5)22(38)18(27(33)41)25(40)31(30,43)24(39)16(12)21(37)17-13(36)8-14(46-6)20(32)19(17)29/h8,11-12,15,23,26,36-37,41-43H,9-10,33H2,1-7H3/b27-18-
• InChIKey: HCKLOTWXHKSTOB-IMRQLAEWSA-N

Properties

• Density: 1.607g/cm³ (Cal.)
• Boiling point: 843.274°C at 760 mmHg (Cal.)
• Flash point: 463.796°C (Cal.)