N-Acetylelsamicin A
[CAS# 106544-47-2]

Identification

• Name: N-Acetylelsamicin A
• Synonyms: N-Acetylelsamicin A
• Molecular Formula: C₃₅H₃₇NO₁₄
• Molecular Weight: 695.68
• CAS Registry Number: 106544-47-2
• SMILES: [C@H]1([C@@H]([C@H]([C@H]([C@H](O1)C)O)OC)NC(C)=O)O[C@H]2[C@@H](O[C@@H]([C@@H]([C@@]2(O)C)O)C)OC7=C6C4=C5C3=C(C=CC(=C3C(O4)=O)C)OC(C5=C(C6=CC=C7)O)=O
• InChI: 1S/C35H37NO14/c1-12-10-11-18-21-19(12)31(41)49-27-20-16(26(39)23(22(21)27)32(42)47-18)8-7-9-17(20)48-34-30(35(5,43)29(40)14(3)46-34)50-33-24(36-15(4)37)28(44-6)25(38)13(2)45-33/h7-11,13-14,24-25,28-30,33-34,38-40,43H,1-6H3,(H,36,37)/t13-,14-,24-,25+,28-,29+,30+,33-,34+,35+/m1/s1
• InChIKey: GWXIRWREUUJNER-OTYLROTQSA-N

Properties

• Density: 1.556g/cm³ (Cal.)
• Boiling point: 991.089°C at 760 mmHg (Cal.)
• Flash point: 553.191°C (Cal.)