(5Z,9α,11α,13E,15S)-15-Hydroxy-11-Methoxy-6,9-Epoxyprosta-5,13-Dien-1-Oic Acid

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Properties Simple | Detailed

Formula C21H34O5
IUPAC Name (5z)-5-[(3ar,4r,5r,6as)-4-[(e,3s)-3-hydroxyoct-1-enyl]-5-methoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoic acid
Molecular Mass 366.492 g·mol−1
Heat of Formation -1068.2 ± 16.7 kJ·mol−1
Dipole Moment 2.09 ± 1.08 D
Volume 480.1 Å 3
Surface Area 392.63 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy 0.59 ± eV
Point Group Symmetry C1
Synonyms
  • (5z)-5-[(3ar,4r,5r,6as)-4-[(e,3s)-3-hydroxyoct-1-enyl]-5-methoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[d]furan-2-ylidene]pentanoic acid
  • (5z)-5-[(3ar,4r,5r,6as)-4-[(e,3s)-3-hydroxyoct-1-enyl]-5-methoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[d]furan-2-ylidene]valeric acid
InChIKey KBVHVDCYPLTTMC-DWLLSEBSSA-N
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