(7R,11R,14S)-14-Demethyl-7-De(1-Methylpropyl)-10,11-Dihydro-7-(1-Methylethyl)-14-Phenylmethylulicyclamide
[CAS# 120853-16-9]

Identification

• Name: (7R,11R,14S)-14-Demethyl-7-De(1-Methylpropyl)-10,11-Dihydro-7-(1-Methylethyl)-14-Phenylmethylulicyclamide
• Molecular Formula: C₃₈H₄₃N₇O₅S₂
• Molecular Weight: 741.92
• CAS Registry Number: 120853-16-9
• SMILES: [C@@H]37N(C(=O)[C@@H](NC(=O)C1=CSC(=N1)[C@H](NC(=O)[C@H]2N=C(SC2)[C@@H](NC(=O)[C@H]4N=C3O[C@@H]4C)C(C)C)CC5=CC=CC=C5)CC6=CC=CC=C6)CCC7
• 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)/t22-,25-,26+,28+,29+,30+,31+/m1/s1
• InChIKey: HKYACNDBJBTRBK-OZEYYBSUSA-N

Properties

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