Ulithiacyclamide B
[CAS# 122759-67-5]

Identification

• Name: Ulithiacyclamide B
• Synonyms: Ulithiacyclamide, 8-De(2-Methylpropyl)-8-(Phenylmethyl)-
• Molecular Formula: C₃₅H₄₀N₈O₆S₄
• Molecular Weight: 796.99
• CAS Registry Number: 122759-67-5
• SMILES: [C@@H]37N=C([C@@H]5NC(C1=CSC(=N1)[C@H](NC(=O)[C@H]6N=C([C@H](NC(C2=CSC(=N2)[C@H](NC3=O)CC4=CC=CC=C4)=O)CSSC5)O[C@@H]6C)CC(C)C)=O)O[C@@H]7C
• InChI: 1S/C35H40N8O6S4/c1-16(2)10-20-34-40-22(12-50-34)28(44)38-25-15-53-52-14-24(32-42-26(17(3)48-32)30(46)36-20)39-29(45)23-13-51-35(41-23)21(11-19-8-6-5-7-9-19)37-31(47)27-18(4)49-33(25)43-27/h5-9,12-13,16-18,20-21,24-27H,10-11,14-15H2,1-4H3,(H,36,46)(H,37,47)(H,38,44)(H,39,45)/t17-,18-,20-,21-,24-,25-,26+,27+/m1/s1
• InChIKey: ALXRBWFBPYGRNS-CIQZLZIBSA-N

Properties

• Density: 1.63g/cm³ (Cal.)
• Boiling point: 1111.617°C at 760 mmHg (Cal.)
• Flash point: 626.083°C (Cal.)