(2S,5S,6R,10R,11S)-10-Heptyl-6-Hydroxy-4,11-Dimethyl-5-(Phenylmethyl)-2-Propan-2-Yl-1,9-Dioxa-4-Azacyclododecane-3,8,12-Trione
[CAS# 159542-04-8]

Identification

• Name: (2S,5S,6R,10R,11S)-10-Heptyl-6-Hydroxy-4,11-Dimethyl-5-(Phenylmethyl)-2-Propan-2-Yl-1,9-Dioxa-4-Azacyclododecane-3,8,12-Trione
• Synonyms: (2S,5S,6R,10R,11S)-10-Heptyl-6-Hydroxy-2-Isopropyl-4,11-Dimethyl-5-(Phenylmethyl)-1,9-Dioxa-4-Azacyclododecane-3,8,12-Trione; (2S,5S,6R,10R,11S)-5-(Benzyl)-10-Heptyl-6-Hydroxy-2-Isopropyl-4,11-Dimethyl-1,9-Dioxa-4-Azacyclododecane-3,8,12-Trione; 1,9-Dioxa-4-Azacyclododecane-3,8,12-Trione, 10-Heptyl-6-Hydroxy-4,11-Dimethyl-2-(1-Methylethyl)-5-(Phenylmethyl)-, (2S-(2R*,5R*,6S*,10S*,11R*))-
• Molecular Formula: C₂₈H₄₃NO₆
• Molecular Weight: 489.65
• CAS Registry Number: 159542-04-8
• SMILES: [C@H]1(OC([C@H]([C@@H](CCCCCCC)OC(C[C@H]([C@@H](N(C1=O)C)CC2=CC=CC=C2)O)=O)C)=O)C(C)C
• InChI: 1S/C28H43NO6/c1-6-7-8-9-13-16-24-20(4)28(33)35-26(19(2)3)27(32)29(5)22(23(30)18-25(31)34-24)17-21-14-11-10-12-15-21/h10-12,14-15,19-20,22-24,26,30H,6-9,13,16-18H2,1-5H3/t20-,22-,23+,24+,26-/m0/s1
• InChIKey: NJNAHFYVTBZQHU-LFFUDGMSSA-N

Properties

• Density: 1.058g/cm³ (Cal.)
• Boiling point: 689.208°C at 760 mmHg (Cal.)
• Flash point: 370.62°C (Cal.)