(5E)-5-[(3As,4R,5R,6As)-4-[(1E,3S)-3-Cyclopentyl-3-Hydroxy-1-Propen-1-Yl]-5-Hydroxyhexahydro-2(1H)-Pentalenylidene]Pentanoic Acid

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Properties Simple | Detailed

Formula C21H32O4
IUPAC Name (5e)-5-[(3as,4r,5r,6as)-4-[(e,3s)-3-cyclopentyl-3-hydroxy-prop-1-enyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1h-pentalen-2-ylidene]pentanoic acid
Molecular Mass 348.476 g·mol−1
Heat of Formation -872.4 ± 16.7 kJ·mol−1
Dipole Moment 1.23 ± 1.08 D
Volume 460.81 Å 3
Surface Area 400.37 Å 2
HOMO Energy -9.51 ± 0.55 eV
LUMO Energy 0.60 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-(2e,3as,4r,5r,6as)-4-((1e,3s)-3-cyclopentyl-3-hydroxypropenyl)-3,3a,4,5,6,6a-hexahydro-5-hydroxy-delta(sup 2(1h),delta)-pentalenevaleric acid
  • (5e)-5-[(3as,4r,5r,6as)-4-[(e,3s)-3-cyclopentyl-3-hydroxy-prop-1-enyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1h-pentalen-2-ylidene]pentanoic acid
  • (5e)-5-[(3as,4r,5r,6as)-4-[(e,3s)-3-cyclopentyl-3-hydroxy-prop-1-enyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1h-pentalen-2-ylidene]valeric acid
  • (5e)-5-[(3as,4r,5r,6as)-4-[(e,3s)-3-cyclopentyl-3-hydroxyprop-1-enyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1h-pentalen-2-ylidene]pentanoic acid
  • ataprost
  • ono 41483
  • ono-41483
  • op-41483
  • pentanoic acid, 5-(4-(3-cyclopentyl-3-hydroxy-1-propenyl)hexahydro-5-hydroxy-2(1h)-pentalenylidene)-, (3as-(2e,3aalpha,4alpha(1e,3r*),5beta,6aalpha))-
CAS Number(s)
  • 83997-19-7
InChIKey DKLGLHQHLFISGJ-YLBFUXKPSA-N
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