(2R,3R,4R)-4-Hydroxy-3-[(1E,4R)-4-Hydroxy-4-Methyl-1-Octen-1-Yl]-2-(8-Hydroxy-7-Oxooctyl)Cyclopentanone

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Properties Simple | Detailed

Formula C22H38O5
IUPAC Name (2r,3r,4r)-4-hydroxy-3-[(e,4r)-4-hydroxy-4-methyl-oct-1-enyl]-2-(8-hydroxy-7-oxo-octyl)cyclopentanone
Molecular Mass 382.534 g·mol−1
Heat of Formation -1118.5 ± 16.7 kJ·mol−1
Dipole Moment 7.04 ± 1.08 D
Volume 516.49 Å 3
Surface Area 455.37 Å 2
HOMO Energy -9.74 ± 0.55 eV
LUMO Energy 0.84 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4r)-4-hydroxy-2-(8-hydroxy-7-keto-octyl)-3-[(e,4r)-4-hydroxy-4-methyl-oct-1-enyl]cyclopentan-1-one
  • (2r,3r,4r)-4-hydroxy-3-[(e,4r)-4-hydroxy-4-methyl-oct-1-enyl]-2-(8-hydroxy-7-oxo-octyl)cyclopentan-1-one
  • (2r,3r,4r)-4-hydroxy-3-[(e,4r)-4-hydroxy-4-methyloct-1-enyl]-2-(8-hydroxy-7-oxooctyl)-1-cyclopentanone
  • (2r,3r,4r)-4-hydroxy-3-[(e,4r)-4-hydroxy-4-methyloct-1-enyl]-2-(8-hydroxy-7-oxooctyl)cyclopentan-1-one
InChIKey KZRFFIVMBRBAAB-MNBNAFOCSA-N
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