(1R,2Z,6S,11As,14Ar)-1-Hydroxy-6-Methyl-1,6,7,8,9,11A,12,13,14,14A-Decahydro-4H-Cyclopenta[F]Oxacyclotridecin-4-One

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Properties Simple | Detailed

Formula C16H24O3
IUPAC Name (1r,2r,3z,7s,11z,13s)-2-hydroxy-7-methyl-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one
Molecular Mass 264.360 g·mol−1
Heat of Formation -587.4 ± 16.7 kJ·mol−1
Dipole Moment 3.60 ± 1.08 D
Volume 337.44 Å 3
Surface Area 278.4 Å 2
HOMO Energy -9.74 ± 0.55 eV
LUMO Energy 0.28 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2r,3z,7s,11z,13s)-2-hydroxy-7-methyl-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one
  • 4h-cyclopent(f)oxacyclotridecin-4-one, 1,6,7,8,9,11a,12,13,14,14a-decahydro-1-hydroxy-6-methyl-, (1r-(1r*,2e,6s*,10e,11as*,14ar*))-
  • brefeldin c
CAS Number(s)
  • 73899-78-2
InChIKey DDFOHHVPBOQQDW-QHGHZAPRSA-N
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