12-Butan-2-Yl-19-Butyl-6-(1-Hydroxyethyl)-9-(Hydroxymethyl)-16,18-Dimethyl-15-(2-Methylpropyl)-1-Oxa-4,7,10,13,16-Pentazacyclononadecane-2,5,8,11,14,17-Hexone
[CAS# 74504-50-0]

Identification

• Name: 12-Butan-2-Yl-19-Butyl-6-(1-Hydroxyethyl)-9-(Hydroxymethyl)-16,18-Dimethyl-15-(2-Methylpropyl)-1-Oxa-4,7,10,13,16-Pentazacyclononadecane-2,5,8,11,14,17-Hexone
• Synonyms: 19-Butyl-6-(1-Hydroxyethyl)-9-(Hydroxymethyl)-15-Isobutyl-16,18-Dimethyl-12-Sec-Butyl-1-Oxa-4,7,10,13,16-Pentazacyclononadecane-2,5,8,11,14,17-Hexone; 19-Butyl-6-(1-Hydroxyethyl)-15-Isobutyl-16,18-Dimethyl-9-Methylol-12-Sec-Butyl-1-Oxa-4,7,10,13,16-Pentazacyclononadecane-2,5,8,11,14,17-Triquinone; Sf-1902A2
• Molecular Formula: C₃₀H₅₃N₅O₉
• Molecular Weight: 627.78
• CAS Registry Number: 74504-50-0
• SMILES: C(C1N(C(=O)C(C(OC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC1=O)C(CC)C)CO)C(O)C)CCCC)C)C)C(C)C
• InChI: 1S/C30H53N5O9/c1-9-11-12-22-18(6)30(43)35(8)21(13-16(3)4)27(40)33-24(17(5)10-2)29(42)32-20(15-36)26(39)34-25(19(7)37)28(41)31-14-23(38)44-22/h16-22,24-25,36-37H,9-15H2,1-8H3,(H,31,41)(H,32,42)(H,33,40)(H,34,39)
• InChIKey: FGESHKULHDNOBC-UHFFFAOYSA-N

Properties

• Density: 1.075g/cm³ (Cal.)
• Boiling point: 982.916°C at 760 mmHg (Cal.)
• Flash point: 548.248°C (Cal.)