Desala-Benanomicin A
[CAS# 145660-37-3]

Identification

• Name: Desala-Benanomicin A
• Synonyms: Benanomicin A, Desalanyl-; Benzo(A)Naphthacene-2-Carboxylic Acid, 5-((6-Deoxy-3-O-Beta-D-Xylopyranosyl-Beta-D-Galactopyranosyl)Oxy)-5,6,8,13-Tetrahydro-1,6,9,14-Tetrahydroxy-11-Methoxy-3-Methyl-8,13-Dioxo-, (5S-Trans)-; Desalaninebenanomicin A
• Molecular Formula: C₃₆H₃₆O₁₈
• Molecular Weight: 756.67
• CAS Registry Number: 145660-37-3
• SMILES: C1=C6C(=C(O)C2=C1C(=O)C3=C(C2=O)C=C(OC)C=C3O)C7=C(C(OC5OC(C(O)C(OC4OCC(O)C(O)C4O)C5O)C)C6O)C=C(C(=C7O)C(=O)O)C
• InChI: 1S/C36H36O18/c1-9-4-15-21(28(44)18(9)34(48)49)20-13(7-14-22(29(20)45)25(41)12-5-11(50-3)6-16(37)19(12)24(14)40)26(42)32(15)53-36-31(47)33(23(39)10(2)52-36)54-35-30(46)27(43)17(38)8-51-35/h4-7,10,17,23,26-27,30-33,35-39,42-47H,8H2,1-3H3,(H,48,49)
• InChIKey: ZUGAIHBEYSBXRE-UHFFFAOYSA-N

Properties

• Density: 1.804g/cm³ (Cal.)
• Boiling point: 1098.963°C at 760 mmHg (Cal.)
• Flash point: 345.233°C (Cal.)