Verticillin B
[CAS# 52212-86-9]

Identification

• Name: Verticillin B
• Molecular Formula: C₃₀H₂₈N₆O₇S₄
• Molecular Weight: 712.84
• CAS Registry Number: 52212-86-9
• SMILES: O=C1N3[C@]2(SS[C@]1(C)N(C)C2=O)[C@@H](O)[C@@]4(c5ccccc5N[C@H]34)[C@]89c%10ccccc%10N[C@H]9N6C(=O)[C@@]7(CO)SS[C@@]6(C(=O)N7C)[C@@H]8O
• InChI: 1S/C30H28N6O7S4/c1-25-21(40)35-19-27(13-8-4-6-10-15(13)31-19,17(38)29(35,46-44-25)23(42)33(25)2)28-14-9-5-7-11-16(14)32-20(28)36-22(41)26(12-37)34(3)24(43)30(36,18(28)39)47-45-26/h4-11,17-20,31-32,37-39H,12H2,1-3H3/t17-,18+,19+,20-,25-,26+,27+,28+,29-,30+/m0/s1
• InChIKey: YABFNIMWFFFBHC-VXLLBLJISA-N

Properties

• Density: 1.927g/cm³ (Cal.)