Aplysistatin

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Formula C15H21BrO3
IUPAC Name (5as,7s,9as,10ar)-7-bromo-6,6,9a-trimethyl-5,5a,7,8,9,10a-hexahydro-1h-furo[3,4-b][1]benzoxepin-3-one
Molecular Mass 329.229 g·mol−1
Heat of Formation -555.1 ± 16.7 kJ·mol−1
Dipole Moment 3.92 ± 1.08 D
Volume 337.67 Å 3
Surface Area 277.16 Å 2
HOMO Energy -10.19 ± 0.55 eV
LUMO Energy -0.27 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,12s)-12-bromo-1,11,11-trimethyl-2,5-dioxatricyclo[8.4.0.0<3,7>]tetradec-7-en-6-one
  • (5as,7s,9as,10ar)-7-bromo-6,6,9a-trimethyl-5,5a,7,8,9,10a-hexahydro-1h-furo[4,3-b][1]benzoxepin-3-one
CAS Number(s)
  • 62003-89-8
InChIKey BEMNKPXNGWTBLQ-ASHKBJFXSA-N
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Elements H C O Br