Bastadin-12
[CAS# 134981-78-5]

Identification

• Name: Bastadin-12
• Synonyms: Bastadin 12; Bastadin 13; Bastadin-12
• Molecular Formula: C₃₄H₂₈Br₄N₄O₈
• Molecular Weight: 940.23
• CAS Registry Number: 134981-78-5
• SMILES: O=C4NCCC1=CC=C(O)C(=C1)OC2=CC=C(C=C2Br)CCNC(=O)C(=N/O)\CC5=CC(=C(OC3=C(O)C(=CC(=C3)C\C4=N/O)Br)C(=C5)Br)Br
• InChI: 1S/C34H28Br4N4O8/c35-21-9-17-2-4-28(21)49-29-15-18(1-3-27(29)43)6-8-40-34(46)26(42-48)14-20-10-22(36)31(44)30(16-20)50-32-23(37)11-19(12-24(32)38)13-25(41-47)33(45)39-7-5-17/h1-4,9-12,15-16,43-44,47-48H,5-8,13-14H2,(H,39,45)(H,40,46)/b41-25-,42-26+
• InChIKey: XNGIESBQQZJDTL-LTEVTRLRSA-N

Properties

• Density: 1.875g/cm³ (Cal.)