(2R,3R,4R)-4-Hydroxy-2-[(2Z)-8-Hydroxy-7-Oxo-2-Octen-1-Yl]-3-[(1E,3R)-3-Hydroxy-4-Phenoxy-1-Buten-1-Yl]Cyclopentanone

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Properties Simple | Detailed

Formula C23H30O6
IUPAC Name (2r,3r,4r)-4-hydroxy-2-[(z)-8-hydroxy-7-oxo-oct-2-enyl]-3-[(e,3r)-3-hydroxy-4-phenoxy-but-1-enyl]cyclopentanone
Molecular Mass 402.481 g·mol−1
Heat of Formation -990.8 ± 16.7 kJ·mol−1
Dipole Moment 2.88 ± 1.08 D
Volume 505.15 Å 3
Surface Area 364.42 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy 0.11 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4r)-4-hydroxy-2-[(z)-8-hydroxy-7-keto-oct-2-enyl]-3-[(e,3r)-3-hydroxy-4-(phenoxy)but-1-enyl]cyclopentan-1-one
  • (2r,3r,4r)-4-hydroxy-2-[(z)-8-hydroxy-7-oxo-oct-2-enyl]-3-[(e,3r)-3-hydroxy-4-(phenoxy)but-1-enyl]cyclopentan-1-one
  • (2r,3r,4r)-4-hydroxy-2-[(z)-8-hydroxy-7-oxooct-2-enyl]-3-[(e,3r)-3-hydroxy-4-(phenoxy)but-1-enyl]-1-cyclopentanone
  • (2r,3r,4r)-4-hydroxy-2-[(z)-8-hydroxy-7-oxooct-2-enyl]-3-[(e,3r)-3-hydroxy-4-(phenoxy)but-1-enyl]cyclopentan-1-one
  • cl-116069
InChIKey IWENRSIKXBDZOT-GEMWVAGXSA-N
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