(1R,3R,7E)-17-[(2R,4Z)-7,7,7-Trifluoro-6-Hydroxy-6-(Trifluoromethyl)-4-Hepten-2-Yl]-9,10-Secoestra-5,7,16-Triene-1,3-Diol

Molecule SVG Image

Properties Simple | Detailed

Formula C26H34F6O3
IUPAC Name (1r,3r)-5-[(2e)-2-[(3as,7as)-7a-methyl-1-[(z,1r)-6,6,6-trifluoro-5-hydroxy-1-methyl-5-(trifluoromethyl)hex-3-enyl]-3a,5,6,7-tetrahydro-3h-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol
Molecular Mass 508.537 g·mol−1
Heat of Formation -1881.5 ± 16.7 kJ·mol−1
Dipole Moment 6.37 ± 1.08 D
Volume 581.8 Å 3
Surface Area 458.31 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -0.37 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3r)-5-[(2e)-2-[(3as,7as)-7a-methyl-1-[(z,1r)-6,6,6-trifluoro-5-hydroxy-1-methyl-5-(trifluoromethyl)hex-3-enyl]-3a,5,6,7-tetrahydro-3h-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol
  • (1r,3r)-5-[(2e)-2-[(3as,7as)-7a-methyl-1-[(z,2r)-7,7,7-trifluoro-6-hydroxy-6-(trifluoromethyl)hept-4-en-2-yl]-3a,5,6,7-tetrahydro-3h-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol
InChIKey MCDFCBSAKWEQJL-DWXDXAMSSA-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