(1R,3R,7E,17β)-17-[(6R)-1,1,1-Trifluoro-2,10-Dihydroxy-10-Methyl-2-(Trifluoromethyl)-3-Undecyn-6-Yl]-9,10-Secoestra-5,7-Diene-1,3-Diol
Properties
Property | Value |
---|---|
Formula | C31H44F6O4 |
IUPAC Name | (1r,3r)-5-[(2e)-2-[(1r,3as,7ar)-7a-methyl-1-[(1r)-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 | -2122.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.18 ± 1.08 D |
Volume | 716.02 Å 3 |
Surface Area | 528.03 Å 2 |
HOMO Energy | -9.36 ± 0.55 eV |
LUMO Energy | -0.35 ± eV |
Point Group Symmetry | C1 |
InChIKey | RAYDHJNMFBHXHA-DUSBBPLISA-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 |