(12E,25Z)-16,21,32,36-Tetrabromo-4,17-Dihydroxy-12,25-Bis(Hydroxyimino)-2,19-Dioxa-10,27-Diazapentacyclo[28.2.2.2~20,23~.1~3,7~.1~14,18~]Octatriaconta-1(32),3(38),4,6,14(37),15,17,20,22,30,33,35-Dodecaene-11,26-Dione

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Formula C34H28Br4N4O8
IUPAC Name (12e,25z)-16,21,32,36-tetrabromo-4,17-dihydroxy-12,25-bis(hydroxyimino)-2,19-dioxa-10,27-diazapentacyclo[28.2.2.2 20,23 .1 3,7 .1 14,18 ]octatriaconta-1(32),3(38),4,6,14(37),15,17,20,22,30,33,35-dodecaene-11,26-dione
Molecular Mass 940.224 g·mol−1
Heat of Formation -667.6 ± 16.7 kJ·mol−1
Dipole Moment 6.07 ± 1.08 D
Volume 856.4 Å 3
Surface Area 542.07 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy -1.04 ± eV
Point Group Symmetry C1
Synonyms
  • 2,19-dioxa-10,27-diazapentacyclo(28.2.2.2(20,23).1(3,7).1(14,18))octatriaconta-3,5,7(38),14,16,18(37),20,22,30,32,33,35-dodecaene-11,12,25,26-tetrone, 16,21,32,36-tetrabromo-4,17-dihydroxy-, 12,25-dioxime, (e,e)-
  • bastadin 12
  • bastadin 13
  • bastadin-12
CAS Number(s)
  • 134981-78-5
InChIKey XNGIESBQQZJDTL-LTEVTRLRSA-N
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