(1R,3R,7E,17β)-17-[(6S)-1,1,1-Trifluoro-2,10-Dihydroxy-10-Methyl-2-(Trifluoromethyl)-3-Undecyn-6-Yl]-9,10-Secoestra-5,7-Diene-1,3-Diol

Molecule SVG Image

Properties Simple | Detailed

Formula C31H44F6O4
IUPAC Name (1r,3r)-5-[(2e)-2-[(1r,3as,7ar)-7a-methyl-1-[(1s)-6,6,6-trifluoro-5-hydroxy-1-(4-hydroxy-4-methyl-pentyl)-5-(trifluoromethyl)hex-3-ynyl]-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol
Molecular Mass 594.669 g·mol−1
Heat of Formation -2124.9 ± 16.7 kJ·mol−1
Dipole Moment 3.21 ± 1.08 D
Volume 716.84 Å 3
Surface Area 524.09 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy -0.32 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3r)-5-[(2e)-2-[(1r,3as,7ar)-7a-methyl-1-[(1s)-6,6,6-trifluoro-5-hydroxy-1-(4-hydroxy-4-methyl-pentyl)-5-(trifluoromethyl)hex-3-ynyl]-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol
  • (1r,3r)-5-[(2e)-2-[(1r,3as,7ar)-7a-methyl-1-[(1s)-6,6,6-trifluoro-5-hydroxy-1-(4-hydroxy-4-methylpentyl)-5-(trifluoromethyl)hex-3-ynyl]-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol
  • (1r,3r)-5-[(2e)-2-[(1r,3as,7ar)-7a-methyl-1-[(6s)-1,1,1-trifluoro-2,10-dihydroxy-10-methyl-2-(trifluoromethyl)undec-3-yn-6-yl]-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol
InChIKey RAYDHJNMFBHXHA-KPUKIUDSSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O F