(5R,6R)-5-Ethyl-6-[(2R,3S,4R,5S,7E)-2-Hydroxy-4-Methoxy-3,5-Dimethyl-7-Nonen-1-Yl]-5,6-Dihydro-2H-Pyran-2-One

Molecule SVG Image

Properties Simple | Detailed

Formula C19H32O4
IUPAC Name (2r,3r)-3-ethyl-2-[(e,2r,3s,4r,5s)-2-hydroxy-4-methoxy-3,5-dimethyl-non-7-enyl]-2,3-dihydropyran-6-one
Molecular Mass 324.455 g·mol−1
Heat of Formation -817.1 ± 16.7 kJ·mol−1
Dipole Moment 6.88 ± 1.08 D
Volume 439.85 Å 3
Surface Area 336.27 Å 2
HOMO Energy -9.71 ± 0.55 eV
LUMO Energy 2.50 ± eV
Point Group Symmetry C1
Synonyms
  • (5r,6r)-5-ethyl-6-[(e,2r,3s,4r,5s)-2-hydroxy-4-methoxy-3,5-dimethyl-non-7-enyl]-5,6-dihydropyran-2-one
  • (5r,6r)-5-ethyl-6-[(e,2r,3s,4r,5s)-2-hydroxy-4-methoxy-3,5-dimethylnon-7-enyl]-5,6-dihydropyran-2-one
  • 2h-pyran-2-one, 5-ethyl-5,6-dihydro-6-(2-hydroxy-4-methoxy-3,5-dimethyl-7-nonenyl)-, (5r-(5alpha,6alpha(2r*,3s*,4r*,5s*,7e)))-
  • 5-ethyl-5,6-dihydro-6-(2-hydroxy-4-methoxy-3,5-dimethyl-7-nonenyl)-2h-pyran-2-one
  • pa 48153c
  • pironetin
CAS Number(s)
  • 151519-02-7
InChIKey XIHGDBYGUWEHCV-FSEPSNHWSA-N
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