Bistratamide B
[CAS# 120881-21-2]

Identification

• Name: Bistratamide B
• Synonyms: 6-Oxa-13,20-Dithia-3,10,17,22,23,24-Hexaazatetracyclo(17.2.1.15,8.112,15)Tetracosa-1(21),5(24),12(23),19(22)-Tetraene-2,9,16-Trione, 7,11-Dimethyl-4-(1-Methylethyl)-18-(Phenylmethyl)-
• Molecular Formula: C₂₇H₃₂N₆O₄S₂
• Molecular Weight: 568.71
• CAS Registry Number: 120881-21-2
• SMILES: C5=C(CC2NC(C4N=C(C(NC(C1N=C(OC1C)C(NC(C3=CSC2=N3)=O)C(C)C)=O)C)SC4)=O)C=CC=C5
• InChI: 1S/C27H32N6O4S2/c1-13(2)20-25-33-21(15(4)37-25)24(36)28-14(3)26-30-18(11-38-26)22(34)29-17(10-16-8-6-5-7-9-16)27-31-19(12-39-27)23(35)32-20/h5-9,12-15,17-18,20-21H,10-11H2,1-4H3,(H,28,36)(H,29,34)(H,32,35)
• InChIKey: BRLJUCBNCZSZRH-UHFFFAOYSA-N

Properties

• Density: 1.512g/cm³ (Cal.)
• Boiling point: 883.293°C at 760 mmHg (Cal.)
• Flash point: 487.998°C (Cal.)