N-Acetylboromycin
[CAS# 99292-90-7]

Identification

• Name: N-Acetylboromycin
• Molecular Formula: C₄₇H₇₆BNO₁₆
• Molecular Weight: 921.92
• CAS Registry Number: 99292-90-7
• SMILES: C3(C1OC([O-])(C(CC1)C)C([O-])C(OC(C(OC(=O)C(NC(=O)C)C(C)C)C)C/C=C/CCC(O)C(C4OC([O-])(C([O-])C(OC2C(OC(C2)CCCC3O)C)=O)C(CC4)C)(C)C)=O)(C)C.[B+3].[H+]
• InChI: 1S/C47H75NO16.B/c1-25(2)38(48-30(7)49)41(54)60-28(5)32-17-13-12-14-18-34(50)44(8,9)36-22-20-27(4)47(58,63-36)40(53)43(56)62-33-24-31(59-29(33)6)16-15-19-35(51)45(10,11)37-23-21-26(3)46(57,64-37)39(52)42(55)61-32;/h12-13,25-29,31-40,50-51H,14-24H2,1-11H3,(
• InChIKey: XNTMXHINCZTKAT-UEIGIMKUSA-O

Properties

• Boiling point: 988.4°C at 760 mmHg (Cal.)
• Flash point: 551.6°C (Cal.)