Taprostene

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Properties Simple | Detailed

Formula C24H30O5
IUPAC Name 3-[(z)-[(3ar,4r,5r,6as)-4-[(e,3s)-3-cyclohexyl-3-hydroxy-prop-1-enyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]methyl]benzoic acid
Molecular Mass 398.492 g·mol−1
Heat of Formation -875.1 ± 16.7 kJ·mol−1
Dipole Moment 5.47 ± 1.08 D
Volume 493.46 Å 3
Surface Area 423.28 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -0.44 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(z)-[(3ar,4r,5r,6as)-4-[(e,3s)-3-cyclohexyl-3-hydroxy-prop-1-enyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[d]furan-2-ylidene]methyl]benzoic acid
  • 3-[(z)-[(3ar,4r,5r,6as)-4-[(e,3s)-3-cyclohexyl-3-hydroxyprop-1-enyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[d]furan-2-ylidene]methyl]benzoic acid
  • alpha-((2z,3ar,4r,5r,6as)-4-((1e,3s)-3-cyclohexyl-3-hydroxypropenyl)hexahydro-5-hydroxy-2h-cyclopenta(b)furan-2-ylidene)-m-toluic acid
  • benzoic acid, 3-((4-(3-cyclohexyl-3-hydroxy-1-propenyl)hexahydro-5-hydroxy-2h-cyclopenta(b)furan-2-ylidene)methyl)-, (3ar-(2z,3a-alpha,4-alpha(1e,3s*),5-beta,6a-alpha))-
  • taprosteno [spanish]
  • taprostenum [latin]
CAS Number(s)
  • 108945-35-3
InChIKey ZLJOKYGJNOQXDP-OZUBPDBUSA-N
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