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

Molecule SVG Image

Properties Simple | Detailed

Formula C20H30O5
IUPAC Name (5e)-5-[(3ar,4r,5r,6as)-5-hydroxy-4-[(e)-3-oxooct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoic acid
Molecular Mass 350.449 g·mol−1
Heat of Formation -1022.5 ± 16.7 kJ·mol−1
Dipole Moment 3.12 ± 1.08 D
Volume 450.52 Å 3
Surface Area 350.75 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy 3.08 ± eV
Point Group Symmetry C1
Synonyms
  • (5e)-5-[(3ar,4r,5r,6as)-5-hydroxy-4-[(e)-3-ketooct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[d]furan-2-ylidene]valeric acid
  • (5e)-5-[(3ar,4r,5r,6as)-5-hydroxy-4-[(e)-3-oxooct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[d]furan-2-ylidene]pentanoic acid
  • prosta-5,13-dien-1-oic acid, 6,9-epoxy-11-hydroxy-15-oxo-, (5z,9alpha,11alpha,13e)-
InChIKey YCLHGWBUIYKBPM-NBFHXWIWSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O