Benanomicin A
[CAS# 116249-65-1]

Identification

• Name: Benanomicin A
• Synonyms: Aids000438; D-Alanine, N-((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-Dioxobenzo(A)Naphthacen-2-Yl)Carbonyl)-, (5S-Trans)-; D-Alanine, N-((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-Dioxobenzo(A)Naphthacen-2-Yl)Carbonyl)-, (5S-Trans)-
• Molecular Formula: C₃₉H₄₁NO₁₉
• Molecular Weight: 827.75
• CAS Registry Number: 116249-65-1
• SMILES: [C@H]4(O[C@@H]2O[C@@H]([C@H](O)[C@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)[C@H]2O)C)C7=C(C3=C(O)C5=C(C=C3[C@@H]4O)C(=O)C6=C(C5=O)C=C(OC)C=C6O)C(=C(C(=C7)C)C(=O)N[C@@H](C(=O)O)C)O
• InChI: 1S/C39H41NO19/c1-10-5-17-23(30(48)20(10)36(52)40-11(2)37(53)54)22-15(8-16-24(31(22)49)27(45)14-6-13(55-4)7-18(41)21(14)26(16)44)28(46)34(17)58-39-33(51)35(25(43)12(3)57-39)59-38-32(50)29(47)19(42)9-56-38/h5-8,11-12,19,25,28-29,32-35,38-39,41-43,46-51H,9H2,1-4H3,(H,40,52)(H,53,54)/t11-,12-,19-,25+,28+,29+,32-,33-,34+,35+,38+,39+/m1/s1
• InChIKey: GOYUMGXIFMGKFN-NUVDETJMSA-N

Properties

• Density: 1.753g/cm³ (Cal.)
• Boiling point: 1146.236°C at 760 mmHg (Cal.)
• Flash point: 647.02°C (Cal.)