Dexylosylbenanomicin A
[CAS# 133806-62-9]

Identification

• Name: Dexylosylbenanomicin A
• Synonyms: Aids-003750; D-Alanine, N-((5-((6-Deoxy-Beta-D-Galactopyranosyl)Oxy)-5,6,8,13-Tetrahydro-1,6,9,14-Tetrahydroxy-11-Methoxy-3-Methyl-8,13-Dioxobenzo(A)Naphthacen-2-Yl)Carbonyl)-, (5S-Trans)-; Dexylosylbenanomicin A
• Molecular Formula: C₃₄H₃₃NO₁₅
• Molecular Weight: 695.63
• CAS Registry Number: 133806-62-9
• SMILES: [C@H]3(O[C@@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)C)C6=C(C2=C(O)C4=C(C=C2[C@@H]3O)C(=O)C5=C(C4=O)C=C(OC)C=C5O)C(=C(C(=C6)C)C(=O)N[C@@H](C(=O)O)C)O
• InChI: 1S/C34H33NO15/c1-9-5-16-21(27(41)18(9)32(45)35-10(2)33(46)47)20-14(26(40)31(16)50-34-30(44)29(43)23(37)11(3)49-34)8-15-22(28(20)42)25(39)13-6-12(48-4)7-17(36)19(13)24(15)38/h5-8,10-11,23,26,29-31,34,36-37,40-44H,1-4H3,(H,35,45)(H,46,47)/t10-,11-,23+,26+,29+,30-,31+,34+/m1/s1
• InChIKey: PRUXMUKWYBVNMB-JAULALIESA-N

Properties

• Density: 1.728g/cm³ (Cal.)
• Boiling point: 1020.078°C at 760 mmHg (Cal.)
• Flash point: 570.723°C (Cal.)