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Bastadin 8
[CAS# 127709-45-9]

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CAS#: 127709-45-9
Product: Bastadin 8
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Identification
Name Bastadin 8
Synonyms Bastadin 8; 2,18-Dioxa-10,27-Diazapentacyclo(28.2.2.2(14,17).1(3,7).1(19,23))Octatriconta-3,5,7(38),14,16,19,21,23(35),30,32,33,36-Dodecaene-11,12,25,26-Tetrone, 5,16,21,32,36-Pentabromo-4,20,29-Trihydroxy-, 12,25-Dioxime
Molecular Structure CAS#: 127709-45-9, Bastadin 8
Molecular Formula C34H27Br5N4O9
Molecular Weight 1035.13
CAS Registry Number 127709-45-9
SMILES [C@H]3(O)C5=CC=C(OC1=CC(=CC(=C1O)Br)CCNC(=O)C(=N/O)\CC4=CC(=C(OC2=CC(=CC(=C2O)Br)C/C(=N/O)C(=O)NC3)C(=C4)Br)Br)C(=C5)Br
InChI 1S/C34H27Br5N4O9/c35-19-13-18-1-2-27(19)51-28-11-15(5-20(36)30(28)45)3-4-40-33(47)24(42-49)9-16-7-22(38)32(23(39)8-16)52-29-12-17(6-21(37)31(29)46)10-25(43-50)34(48)41-14-26(18)44/h1-2,5-8,11-13,26,44-46,49-50H,3-4,9-10,14H2,(H,40,47)(H,41,48)/b42-24-,43-25-/t26-/m1/s1
InChIKey XRCOVLHHCDFIHF-DAQHDTCKSA-N
Properties
Density 2.025g/cm3 (Cal.)
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