Benanomicin B
[CAS# 116249-66-2]

Identification

• Name: Benanomicin B
• Synonyms: D-Alanine, N-((5-((4-Amino-4,6-Dideoxy-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-Dioxobenzo(A)Naphthacen-2-Yl)Carbonyl)-; Pradimicin C
• Molecular Formula: C₃₉H₄₂N₂O₁₈
• Molecular Weight: 826.76
• CAS Registry Number: 116249-66-2
• SMILES: [C@H]6([C@H]([C@H](O[C@@H]4[C@H](C3=CC2=C(C(C1=C(C(=CC(=C1)OC)O)C2=O)=O)C(=C3C5=C4C=C(C(=C5O)C(N[C@@H](C(=O)O)C)=O)C)O)O)O[C@@H]([C@@H]6N)C)O)O[C@H]7[C@@H]([C@@H](O)[C@@H](CO7)O)O
• InChI: 1S/C39H42N2O18/c1-10-5-17-23(30(48)20(10)36(52)41-11(2)37(53)54)22-15(8-16-24(31(22)49)27(45)14-6-13(55-4)7-18(42)21(14)26(16)44)28(46)34(17)58-39-33(51)35(25(40)12(3)57-39)59-38-32(50)29(47)19(43)9-56-38/h5-8,11-12,19,25,28-29,32-35,38-39,42-43,46-51H,9,40H2,1-4H3,(H,41,52)(H,53,54)/t11-,12-,19-,25+,28+,29+,32-,33-,34+,35+,38+,39+/m1/s1
• InChIKey: IHIIRQILYAXIOH-NUVDETJMSA-N

Properties

• Density: 1.729g/cm³ (Cal.)
• Boiling point: 1125.081°C at 760 mmHg (Cal.)
• Flash point: 634.226°C (Cal.)