(1R,2E,6S,10E,11As,14Ar)-1-Hydroxy-6-Methyl-6,7,8,9,11A,12,14,14A-Octahydro-4H-Cyclopenta[F]Oxacyclotridecine-4,13(1H)-Dione

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Properties Simple | Detailed

Formula C16H22O4
IUPAC Name (1r,2r,3e,7s,11e,13s)-2-hydroxy-7-methyl-6-oxabicyclo[11.3.0]hexadeca-3,11-diene-5,15-dione
Molecular Mass 278.343 g·mol−1
Heat of Formation -710.6 ± 16.7 kJ·mol−1
Dipole Moment 3.93 ± 1.08 D
Volume 349.17 Å 3
Surface Area 295.45 Å 2
HOMO Energy -9.98 ± 0.55 eV
LUMO Energy -0.31 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2r,3e,7s,11e,13s)-2-hydroxy-7-methyl-6-oxabicyclo[11.3.0]hexadeca-3,11-diene-5,15-dione
  • (1r,2r,3e,7s,11e,13s)-2-hydroxy-7-methyl-6-oxabicyclo[11.3.0]hexadeca-3,11-diene-5,15-quinone
  • 4h-cyclopent(f)oxacyclotridecin-4,13(1h)-dione, 6,7,8,9,11a,12,14,14a-octahydro-1-hydroxy-6-methyl-, (1r-(1r*,2e,6s*,10e,11as*,14ar*))-
  • 7-dehydrobrefeldin a
  • 7-oxo-bfa
CAS Number(s)
  • 62989-90-6
InChIKey IKUWMGOXYQGWPC-TWAINWRDSA-N
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