(3E,5R,6E,8S,9E,13S,14R)-5-Hydroxy-8-Methoxy-5,9,13,14-Tetramethyloxacyclotetradeca-3,6,9-Trien-2-One

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Properties Simple | Detailed

Formula C18H28O4
IUPAC Name (3e,5r,6e,8s,9e,13s,14r)-5-hydroxy-8-methoxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-3,6,9-trien-2-one
Molecular Mass 308.413 g·mol−1
Heat of Formation -711.5 ± 16.7 kJ·mol−1
Dipole Moment 3.73 ± 1.08 D
Volume 410.81 Å 3
Surface Area 333.76 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy -0.11 ± eV
Point Group Symmetry C1
Synonyms
  • (3e,5r,6e,8s,9e,13s,14r)-5-hydroxy-8-methoxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-3,6,9-trien-2-one
  • acon1_001110
  • albocycline
  • ingramycin
  • ta-2407
CAS Number(s)
  • 25129-91-3
InChIKey BYWWNDLILWPPJP-REXWONOSSA-N
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