Auramycin B
[CAS# 78173-91-8]

Identification

• Name: Auramycin B
• Synonyms: 1-Naphthacenecarboxylic Acid, 4-(((2''',3''-Anhydro)-O-3,6-Dideoxy-Alpha-L-Erythro-Hexopyranos-4-Ulosyl-(1-4)-O-2,6-Dideoxy-Alpha-L-Lyxo-Hexapyranosyl-(1-4)-2,3,6-Trideoxy-3-(Dimethylamino)-Alpha-L-Lyxo-Hexopyranosyl)Oxy)-1,2,3,4,6,11-Hexahydro-2,5,7-Trihydroxy-2-Methyl-6,11-Dioxo-, Methyl Ester, (1R-(1-Alpha,2-Beta,4-Beta))-; 1-Naphthacenecarboxylic Acid, 4-(((2''',3''-Anhydro)-O-3,6-Dideoxy-Alpha-L-Erythro-Hexopyranos-4-Ulosyl-(1->4)-O-2,6-Dideoxy-Alpha-L-Lyxo-Hexopyranosyl-(1->4)-2,3,6-Trideoxy-3-(Dimethylamino)-Alpha-L-Lyxo-Hexopyranosyl)Oxy)-1,2,3,4,6,11-Hexahydro-2,5,7-Trihydroxy-2-Methyl-6,11-D Ioxo-, Methyl Ester, (1R-(1Alpha,2Beta,4Beta))-
• Molecular Formula: C₄₁H₄₉NO₁₅
• Molecular Weight: 795.84
• CAS Registry Number: 78173-91-8
• SMILES: [C@H]23O[C@@H]1O[C@H](C(=O)C[C@@H]1O[C@H]2C[C@@H](O[C@H]3C)O[C@H]8[C@@H](N(C)C)C[C@H](O[C@@H]5C4=C(O)C7=C(C=C4[C@H]([C@](O)(C5)C)C(OC)=O)C(=O)C6=CC=CC(=C6C7=O)O)O[C@H]8C)C
• InChI: 1S/C41H49NO15/c1-16-24(44)13-26-40(53-16)57-38-18(3)52-29(14-25(38)54-26)56-37-17(2)51-28(12-22(37)42(5)6)55-27-15-41(4,49)33(39(48)50-7)20-11-21-32(36(47)31(20)27)35(46)30-19(34(21)45)9-8-10-23(30)43/h8-11,16-18,22,25-29,33,37-38,40,43,47,49H,12-15H2,1-7H3/t16-,17-,18-,22-,25-,26-,27-,28-,29-,33-,37+,38+,40-,41+/m0/s1
• InChIKey: PCGZUKQITWMLRC-RJFPJLDVSA-N

Properties

• Density: 1.462g/cm³ (Cal.)
• Boiling point: 866.437°C at 760 mmHg (Cal.)
• Flash point: 477.804°C (Cal.)