Mycobacillin
[CAS# 18524-67-9]

Identification

• Name: Mycobacillin
• Molecular Formula: C₆₅H₈₅N₁₃O₃₀
• Molecular Weight: 1528.46
• CAS Registry Number: 18524-67-9
• SMILES: C4=C(CC1NC(CCC(NC(C(NC(C3N(C(C(NC(C(NC(C(NC(CCC(NC(C(NC(C(NC(C(NC(C(NC(C(NC1=O)CC(O)=O)=O)CC2=CC=C(C=C2)O)=O)CO)=O)CC(O)=O)=O)CC(C)C)=O)C(O)=O)=O)CC(O)=O)=O)C)=O)CC(O)=O)=O)CCC3)=O)CC(O)=O)=O)C(O)=O)=O)C=CC(=C4)O
• InChI: 1S/C65H85N13O30/c1-28(2)19-36-55(96)69-34(64(105)106)15-17-47(83)68-39(22-48(84)85)54(95)66-29(3)53(94)76-43(26-52(92)93)63(104)78-18-4-5-45(78)62(103)75-42(25-51(90)91)58(99)70-35(65(107)108)14-16-46(82)67-37(20-30-6-10-32(80)11-7-30)56(97)73-40(23-49(86)87)60(101)72-38(21-31-8-12-33(81)13-9-31)57(98)77-44(27-79)61(102)74-41(24-50(88)89)59(100)71-36/h6-13,28-29,34-45,79-81H,4-5,14-27H2,1-3H3,(H,66,95)(H,67,82)(H,68,83)(H,69,96)(H,70,99)(H,71,100)(H,72,101)(H,73,97)(H,74,102)(H,75,103)(H,76,94)(H,77,98)(H,84,85)(H,86,87)(H,88,89)(H,90,91)(H,92,93)(H,105,106)(H,107,108)
• InChIKey: MGMBOQJARKXIAL-UHFFFAOYSA-N

Properties

• Density: 1.57g/cm³ (Cal.)
• Boiling point: 2102.4°C at 760 mmHg (Cal.)
• Flash point: 1225.3°C (Cal.)