(1R,3S,5Z)-5-[(2E)-2-{(1R,3As,7Ar)-1-[(2R)-6-Ethyl-5,5-Difluoro-6-Hydroxy-2-Octanyl]-7A-Methyloctahydro-4H-Inden-4-Ylidene}Ethylidene]-4-Methylene-1,3-Cyclohexanediol

Molecule SVG Image

Properties Simple | Detailed

Formula C29H46F2O3
IUPAC Name (1s,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(1r,5r)-5-ethyl-4,4-difluoro-5-hydroxy-1-methyl-heptyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diolate
Molecular Mass 480.671 g·mol−1
Heat of Formation 480.8 ± 16.7 kJ·mol−1
Dipole Moment 4.84 ± 1.08 D
Volume 609.67 Å 3
Surface Area 479.35 Å 2
Point Group Symmetry C1
Synonyms
  • (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(1r)-5-ethyl-4,4-difluoro-5-hydroxy-1-methyl-heptyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
  • (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(1r)-5-ethyl-4,4-difluoro-5-hydroxy-1-methylheptyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol
  • (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(2r)-6-ethyl-5,5-difluoro-6-hydroxy-octan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
  • (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(2r)-6-ethyl-5,5-difluoro-6-hydroxyoctan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
  • (5z,7e)-(1s,3r)-24,24-difluoro-26,27-dimethyl-9,10-seco-5,7,10(19)-cholestatrien-1,3,25-triol
  • 24,24-difluoro-1alpha,25-dihydroxy-26,27-dimethylvitamin d3 / 24,24-difluoro-1alpha,25-dihydroxy-26,27-dimethylcholecalciferol
  • lmst03020403
InChIKey OUCLWOMRWNRDCS-WURITPQDSA-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