Methyl 4-({2-[(1R,2R,3R)-3-Hydroxy-2-{(1E,3S)-3-Hydroxy-4-[3-(Methoxymethyl)Phenyl]-1-Buten-1-Yl}-5-Oxocyclopentyl]Ethyl}Sulfanyl)Butanoate

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Properties Simple | Detailed

Formula C24H34O6S
IUPAC Name methyl 4-[2-[(1r,2r,3r)-3-hydroxy-2-[(e,3s)-3-hydroxy-4-[3-(methoxymethyl)phenyl]but-1-enyl]-5-oxo-cyclopentyl]ethylsulfanyl]butanoate
Molecular Mass 450.588 g·mol−1
Heat of Formation -1086.0 ± 16.7 kJ·mol−1
Dipole Moment 3.17 ± 1.08 D
Volume 564.09 Å 3
Surface Area 417.93 Å 2
HOMO Energy -8.37 ± 0.55 eV
LUMO Energy 0.11 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[2-[(1r,2r,3r)-3-hydroxy-2-[(e,3s)-3-hydroxy-4-[3-(methoxymethyl)phenyl]but-1-enyl]-5-keto-cyclopentyl]ethylthio]butyric acid methyl ester
  • 4-[2-[(1r,2r,3r)-3-hydroxy-2-[(e,3s)-3-hydroxy-4-[3-(methoxymethyl)phenyl]but-1-enyl]-5-oxocyclopentyl]ethylthio]butanoic acid methyl ester
  • methyl 4-[2-[(1r,2r,3r)-3-hydroxy-2-[(e,3s)-3-hydroxy-4-[3-(methoxymethyl)phenyl]but-1-enyl]-5-oxo-cyclopentyl]ethylsulfanyl]butanoate
  • methyl 4-[2-[(1r,2r,3r)-3-hydroxy-2-[(e,3s)-3-hydroxy-4-[3-(methoxymethyl)phenyl]but-1-enyl]-5-oxocyclopentyl]ethylsulfanyl]butanoate
InChIKey FBQUXLIJKPWCAO-AZIFJQEOSA-N
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