(+)-Brefeldin A

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Properties Simple | Detailed

Formula C16H24O4
IUPAC Name (1r,2r,3e,7s,11e,13s,15s)-2,15-dihydroxy-7-methyl-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one
Molecular Mass 280.359 g·mol−1
Heat of Formation -758.7 ± 16.7 kJ·mol−1
Dipole Moment 4.27 ± 1.08 D
Volume 351.65 Å 3
Surface Area 298.31 Å 2
HOMO Energy -9.81 ± 0.55 eV
LUMO Energy -0.16 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2r,3e,7s,11e,13s,15s)-2,15-dihydroxy-7-methyl-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one
  • 1,6,7,8,9,11a,12,13,14,14a-decahydro-1,13-dihydroxy-6-methyl-4h-cyclopent[f]oxacyclotridecin-4-one
  • afb
  • brefeldin- a
  • gamma,4-dihydroxy-2-(6-hydroxy-1-heptenyl)-4-cyclopentanecrotonic acid lambda-lactone
InChIKey KQNZDYYTLMIZCT-KQPMLPITSA-N
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