Antibiotic Dc 89A1
[CAS# 113189-05-2]

Identification

• Name: Antibiotic Dc 89A1
• Synonyms: (2R,8S)-8-Chloro-4-Hydroxy-7-Methyl-1-Oxo-6-[Oxo-(5,6,7-Trimethoxy-1H-Indol-2-Yl)Methyl]-3,7,8,9-Tetrahydro-2H-Pyrido[3,2-E]Indole-2-Carboxylic Acid Methyl Ester; (2R,8S)-8-Chloro-4-Hydroxy-1-Keto-7-Methyl-6-(5,6,7-Trimethoxy1h-Indole-2-Carbonyl)-3,7,8,9-Tetrahydro-2H-Pyrido[3,2-E]Indole-2-Carboxylic Acid Methyl Ester; Methyl (2R,8S)-8-Chloro-4-Hydroxy-7-Methyl-1-Oxo-6-[(5,6,7-Trimethoxy-1H-Indol-2-Yl)Carbonyl]-3,7,8,9-Tetrahydro-2H-Pyrido[3,2-E]Indole-2-Carboxylate
• Molecular Formula: C₂₆H₂₆ClN₃O₈
• Molecular Weight: 543.96
• CAS Registry Number: 113189-05-2 (118292-35-6)
• SMILES: [C@H]5(NC4=C(C3=C(N(C(=O)C1=CC2=C([NH]1)C(=C(OC)C(=C2)OC)OC)C([C@@H](Cl)C3)C)C=C4O)C5=O)C(OC)=O
• InChI: 1S/C26H26ClN3O8/c1-10-13(27)8-12-15(9-16(31)20-18(12)22(32)21(29-20)26(34)38-5)30(10)25(33)14-6-11-7-17(35-2)23(36-3)24(37-4)19(11)28-14/h6-7,9-10,13,21,28-29,31H,8H2,1-5H3/t10?,13-,21+/m0/s1
• InChIKey: FUVBPRRZRLYXHG-XGIZJYENSA-N

Properties

• Density: 1.525g/cm³ (Cal.)
• Boiling point: 810.49°C at 760 mmHg (Cal.)
• Flash point: 443.968°C (Cal.)