Lissoclinamide 6
[CAS# 121209-53-8]

Identification

• Name: Lissoclinamide 6
• Synonyms: Lissoclinamide 8; Ulicyclamide, 7-De(1-Methylpropyl)-10,11-Dihydro-7-(1-Methylethyl)-36-Phenyl-, (3Xi,7Xi,14Xi,21Xi)-
• Molecular Formula: C₃₈H₄₃N₇O₅S₂
• Molecular Weight: 741.92
• CAS Registry Number: 121209-53-8 (126452-98-0)
• SMILES: C7=C(CC3NC(C1=CSC(=N1)C(NC(C5N=C(C(NC(C2N=C(OC2C)C4N(C3=O)CCC4)=O)C(C)C)SC5)=O)CC6=CC=CC=C6)=O)C=CC=C7
• InChI: 1S/C38H43N7O5S2/c1-21(2)30-37-42-28(20-52-37)32(46)39-25(17-23-11-6-4-7-12-23)36-41-27(19-51-36)33(47)40-26(18-24-13-8-5-9-14-24)38(49)45-16-10-15-29(45)35-44-31(22(3)50-35)34(48)43-30/h4-9,11-14,19,21-22,25-26,28-31H,10,15-18,20H2,1-3H3,(H,39,46)(H,40,47)(H,43,48)
• InChIKey: HKYACNDBJBTRBK-UHFFFAOYSA-N

Properties

• Density: 1.472g/cm³ (Cal.)
• Boiling point: 1025.604°C at 760 mmHg (Cal.)
• Flash point: 574.064°C (Cal.)