(3R,4S,5S,7R,9E,11R,12R)-12-Ethyl-4-Hydroxy-3,5,7,11-Tetramethyloxacyclododec-9-Ene-2,8-Dione

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Formula C17H28O4
IUPAC Name (3r,4s,5s,7r,9e,11r,12r)-12-ethyl-4-hydroxy-3,5,7,11-tetramethyl-1-oxacyclododec-9-ene-2,8-dione
Molecular Mass 296.402 g·mol−1
Heat of Formation -882.9 ± 16.7 kJ·mol−1
Dipole Moment 2.58 ± 1.08 D
Volume 388.17 Å 3
Surface Area 310.77 Å 2
HOMO Energy -9.85 ± 0.55 eV
LUMO Energy 0.04 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,4s,5s,7r,9e,11r,12r)-12-ethyl-4-hydroxy-3,5,7,11-tetramethyl-1-oxacyclododec-9-ene-2,8-dione
  • (3r,4s,5s,7r,9e,11r,12r)-12-ethyl-4-hydroxy-3,5,7,11-tetramethyl-1-oxacyclododec-9-ene-2,8-quinone
  • 10-deoxymethynolide
  • lmpk01000038
CAS Number(s)
  • 81644-19-1
InChIKey NZUJVBSYQXETNF-PQWITYJESA-N
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