(4S,6R)-6-{(E)-2-[2-(4-Fluoro-3-Methylphenyl)-4,4,6,6-Tetramethyl-1-Cyclohexen-1-Yl]Vinyl}-4-Hydroxytetrahydro-2H-Pyran-2-One

Molecule SVG Image

Properties Simple | Detailed

Formula C24H31FO3
IUPAC Name (4s,6r)-6-[(e)-2-[2-(4-fluoro-3-methyl-phenyl)-4,4,6,6-tetramethyl-cyclohexen-1-yl]vinyl]-4-hydroxy-tetrahydropyran-2-one
Molecular Mass 386.500 g·mol−1
Heat of Formation -785.6 ± 16.7 kJ·mol−1
Dipole Moment 5.65 ± 1.08 D
Volume 494.44 Å 3
Surface Area 367.35 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy -0.19 ± eV
Point Group Symmetry C1
Synonyms
  • (+-)-(4r*,6s*)-6-((e)-2-(2-(4-fluoro-m-tolyl)-4,4,6,6-tetramethyl-1-cyclohexen-1-yl)vinyl)tetrahydro-4-hydroxy-2h-pyran-2-one
  • (4s,6r)-6-[(e)-2-[2-(4-fluoro-3-methyl-phenyl)-4,4,6,6-tetramethyl-1-cyclohexenyl]ethenyl]-4-hydroxy-oxan-2-one
  • (4s,6r)-6-[(e)-2-[2-(4-fluoro-3-methyl-phenyl)-4,4,6,6-tetramethyl-1-cyclohexenyl]vinyl]-4-hydroxy-tetrahydropyran-2-one
  • (4s,6r)-6-[(e)-2-[2-(4-fluoro-3-methylphenyl)-4,4,6,6-tetramethyl-1-cyclohexenyl]ethenyl]-4-hydroxyoxan-2-one
  • (4s,6r)-6-[(e)-2-[2-(4-fluoro-3-methylphenyl)-4,4,6,6-tetramethyl-1-cyclohexenyl]vinyl]-4-hydroxy-2-tetrahydropyranone
  • 2h-pyran-2-one, 6-((1e)-2-(2-(4-fluoro-3-methylphenyl)-4,4,6,6-tetramethyl-1-cyclohexen-1-yl)ethenyl)tetrahydro-4-hydroxy-, (4r,6s)-rel-
  • 2h-pyran-2-one, 6-(2-(2-(4-fluoro-3-methylphenyl)-4,4,6,6-tetramethyl-1-cyclohexen-1-yl)ethenyl)tetrahydro-4-hydroxy-, (4alpha,6beta(e))-(+-)-
  • dalvastatin
  • dalvastatin (4r,6s)-relative stereochemistry
  • rg 12561
CAS Number(s)
  • 132100-55-1
InChIKey VDSBXXDKCUBMQC-VUOWKATKSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O F