22-Butan-2-Yl-13-Heptadecyl-9,16-Bis(1-Hydroxyethyl)-3,19-Dimethyl-6-Propan-2-Yl-14-Oxa-1,4,7,10,17,20,23-Heptazabicyclo[23.3.0]Octacosane-2,5,8,11,15,18,21,24-Octone
[CAS# 2132-55-0]

Identification

• Name: 22-Butan-2-Yl-13-Heptadecyl-9,16-Bis(1-Hydroxyethyl)-3,19-Dimethyl-6-Propan-2-Yl-14-Oxa-1,4,7,10,17,20,23-Heptazabicyclo[23.3.0]Octacosane-2,5,8,11,15,18,21,24-Octone
• Synonyms: 13-Heptadecyl-9,16-Bis(1-Hydroxyethyl)-6-Isopropyl-3,19-Dimethyl-22-Sec-Butyl-14-Oxa-1,4,7,10,17,20,23-Heptazabicyclo[23.3.0]Octacosane-2,5,8,11,15,18,21,24-Octone; 13-Heptadecyl-9,16-Bis(1-Hydroxyethyl)-6-Isopropyl-3,19-Dimethyl-22-Sec-Butyl-14-Oxa-1,4,7,10,17,20,23-Heptazabicyclo[23.3.0]Octacosane-2,5,8,11,15,18,21,24-Tetraquinone; Peptidolipin Na
• Molecular Formula: C₅₀H₈₉N₇O₁₁
• Molecular Weight: 964.29
• CAS Registry Number: 2132-55-0
• SMILES: C(C(C1NC(=O)C2N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)CC(OC(=O)C(NC(=O)C(NC1=O)C)C(O)C)CCCCCCCCCCCCCCCCC)C(O)C)C(C)C)C)CCC2)C)C
• InChI: 1S/C50H89N7O11/c1-10-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-37-30-39(60)53-42(35(8)58)48(65)54-40(31(3)4)46(63)52-34(7)49(66)57-29-26-28-38(57)45(62)55-41(32(5)11-2)47(64)51-33(6)44(61)56-43(36(9)59)50(67)68-37/h31-38,40-43,58-59H,10-30H2,1-9H3,(H,51,64)(H,52,63)(H,53,60)(H,54,65)(H,55,62)(H,56,61)
• InChIKey: ISFFTEWJOFYRNG-UHFFFAOYSA-N

Properties

• Density: 1.157g/cm³ (Cal.)
• Boiling point: 1200.434°C at 760 mmHg (Cal.)
• Flash point: 679.798°C (Cal.)