({(1R,2R,3As,9As)-1-[(3R)-3-Cyclohexyl-3-Hydroxypropyl]-2-Hydroxy-2,3,3A,4,9,9A-Hexahydro-1H-Cyclopenta[B]Naphthalen-5-Yl}Oxy)Acetic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C24H34O5
IUPAC Name 2-[[(1r,2r,3as,9as)-1-[(3r)-3-cyclohexyl-3-hydroxy-propyl]-2-hydroxy-2,3,3a,4,9,9a-hexahydro-1h-cyclopenta[g]naphthalen-5-yl]oxy]acetic acid
Molecular Mass 402.524 g·mol−1
Heat of Formation -1065.8 ± 16.7 kJ·mol−1
Dipole Moment 4.09 ± 1.08 D
Volume 499.07 Å 3
Surface Area 402.55 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy 0.16 ± eV
Point Group Symmetry C1
Synonyms
  • (1r-(1alpha(r*),2beta,3aalpha,9aalpha))-((1-(3-cyclohexyl-3-hydroxypropyl)-2,3,3a,4,9,9a-hexahydro-2-hydroxy-1h-benz(f)inden-5-yl)oxy)acetic acid
  • 15-cyclohexyl-9-deoxo-13,14-dihydro-2',9 alpha-methano-4,5,6,16,17,18,19,20-octanor-3-oxa-3,7-(1',3'-interphenylene)pge1
  • 2-[[(2r,3r,3as,9as)-3-[(3r)-3-cyclohexyl-3-hydroxy-propyl]-2-hydroxy-2,3,3a,4,9,9a-hexahydro-1h-cyclopenta[g]naphthalen-8-yl]oxy]acetic acid
  • 2-[[(2r,3r,3as,9as)-3-[(3r)-3-cyclohexyl-3-hydroxy-propyl]-2-hydroxy-2,3,3a,4,9,9a-hexahydro-1h-cyclopenta[g]naphthalen-8-yl]oxy]ethanoic acid
  • 2-[[(2r,3r,3as,9as)-3-[(3r)-3-cyclohexyl-3-hydroxypropyl]-2-hydroxy-2,3,3a,4,9,9a-hexahydro-1h-cyclopenta[g]naphthalen-8-yl]oxy]acetic acid
  • acetic acid, ((1-(3-cyclohexyl-3-hydroxypropyl)-2,3,3a,4,9,9a-hexahydro-2-hydroxy-1h-benz(f)inden-5-yl)oxy)-, (1r-(1alpha(r*),2beta,3aalpha,9aalpha))-
  • u 68,215
  • u 68215
  • u-68,215
  • u-68215
CAS Number(s)
  • 99464-90-1
  • 99570-57-7
InChIKey UVTYVOJZXZTZHN-PLJZGSKRSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O