(1S,2E,6S,10E,11As,13S,14Ar)-1,13-Dihydroxy-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 C16H24O4
IUPAC Name (1s,2e,7s,10e,12s,13r,15s)-12,15-dihydroxy-7-methyl-8-oxabicyclo[11.3.0]hexadeca-2,10-dien-9-one
Molecular Mass 280.359 g·mol−1
Heat of Formation -768.1 ± 16.7 kJ·mol−1
Dipole Moment 3.44 ± 1.08 D
Volume 357.18 Å 3
Surface Area 296.77 Å 2
HOMO Energy -9.97 ± 0.55 eV
LUMO Energy -0.26 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-brefeldin a
  • (1r,2s,3e,7s,11e,13s,15s)-2,15-dihydroxy-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-1,13-dihydroxy-6-methyl-, [1r-(1r*,2e,6s*, 10e,11as*,13s*,14ar*)]-
  • 4h-cyclopent[f]oxacyclotridecin-4-one, 1,6,7,8,9,11a.beta.,12,13,14,14a.alpha.-decahydro- 1.beta.,13.alpha.-dihydroxy-6.beta.-methyl-
  • antibiotic from penicillium cyaneum
  • ascotoxin
  • b 174987
  • brefeldin a
  • cyanein
  • decumbin
  • lunatin
  • pfizer b 174987
  • pfizer b 174987 4h-cyclopent[f]oxacyclotridecin-4-one, 1,6,7,8,9,11a,12,13,14,14a-decahydro-1,13-dihydroxy-6-methyl-, (1r,2e,6s,10e,11as,13s,14ar)-
  • pfizer b174987
CAS Number(s)
  • 60132-23-2
  • 20350-15-6
InChIKey KQNZDYYTLMIZCT-PNFJWZTBSA-N
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