(5Z)-7-{(1R,2R,3R)-2-[(1E,3R)-5-Ethoxy-3-Hydroxy-4,4-Dimethyl-1-Penten-1-Yl]-3-Hydroxy-5-Oxocyclopentyl}-5-Heptenoic Acid

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Properties Simple | Detailed

Formula C21H34O6
IUPAC Name (z)-7-[(1r,2r,3r)-2-[(e,3r)-5-ethoxy-3-hydroxy-4,4-dimethyl-pent-1-enyl]-3-hydroxy-5-oxo-cyclopentyl]hept-5-enoic acid
Molecular Mass 382.491 g·mol−1
Heat of Formation -1224.0 ± 16.7 kJ·mol−1
Dipole Moment 2.43 ± 1.08 D
Volume 497.63 Å 3
Surface Area 373.71 Å 2
HOMO Energy -9.68 ± 0.55 eV
LUMO Energy 0.56 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-7-[(1r,2r,3r)-2-[(e,3r)-5-ethoxy-3-hydroxy-4,4-dimethyl-pent-1-enyl]-3-hydroxy-5-keto-cyclopentyl]hept-5-enoic acid
  • (z)-7-[(1r,2r,3r)-2-[(e,3r)-5-ethoxy-3-hydroxy-4,4-dimethyl-pent-1-enyl]-3-hydroxy-5-oxo-cyclopentyl]hept-5-enoic acid
  • (z)-7-[(1r,2r,3r)-2-[(e,3r)-5-ethoxy-3-hydroxy-4,4-dimethylpent-1-enyl]-3-hydroxy-5-oxocyclopentyl]hept-5-enoic acid
  • hr-260
InChIKey UJFDLBWYYFZXDS-WFMZDECMSA-N
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