Methyl (5Z)-7-{(1S,4R,5R,6R)-6-[(1E,3S)-3-Hydroxy-1-Octen-1-Yl]-2,3-Dioxabicyclo[2.2.1]Hept-5-Yl}-5-Heptenoate

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Properties Simple | Detailed

Formula C21H34O5
IUPAC Name methyl (z)-7-[(1r,4s,5r,6r)-5-[(e,3s)-3-hydroxyoct-1-enyl]-2,3-dioxabicyclo[2.2.1]heptan-6-yl]hept-5-enoate
Molecular Mass 366.492 g·mol−1
Heat of Formation -727.3 ± 16.7 kJ·mol−1
Dipole Moment 3.88 ± 1.08 D
Volume 480.2 Å 3
Surface Area 364.05 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy 0.65 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-7-[(1r,2r,3r,4s)-3-[(e,3s)-3-hydroxyoct-1-enyl]-5,6-dioxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid methyl ester
  • methyl (z)-7-[(1r,2r,3r,4s)-3-[(e,3s)-3-hydroxyoct-1-enyl]-5,6-dioxabicyclo[2.2.1]heptan-2-yl]hept-5-enoate
  • pgh2 methyl ester
  • prosta-5,13-dien-1-oic acid, 9,11-epidioxy-15-hydroxy-, methyl ester, (5z,9alpha,11alpha,13e,15s)-
  • prostaglandin h2 methyl ester
CAS Number(s)
  • 63942-75-6
InChIKey FDRPOMQIQZEIQH-YNPSZXEPSA-N
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