(1R,3R,3As,3Br,7Ar,8As,8Bs,8Cs,10As)-1-Acetyl-5-Chloro-3-Hydroxy-8B,10A-Dimethyl-7-Oxo-1,2,3,3A,3B,7,7A,8,8A,8B,8C,9,10,10A-Tetradecahydrocyclopenta[A]Cyclopropa[G]Phenanthren-1-Yl Acetate

Molecule SVG Image

Properties Simple | Detailed

Formula C24H29ClO5
IUPAC Name (1r,3r,3as,3br,7ar,8as,8bs,8cs,10as)-1-acetyl-5-chloro-3-hydroxy-8b,10a-dimethyl-7-oxo-1,2,3,3a,3b,7,7a,8,8a,8b,8c,9,10,10a-tetradecahydrocyclopenta[a]cyclopropa[g]phenanthren-1-yl acetate
Molecular Mass 432.937 g·mol−1
Heat of Formation -855.3 ± 16.7 kJ·mol−1
Dipole Moment 6.52 ± 1.08 D
Volume 501.2 Å 3
Surface Area 385.76 Å 2
HOMO Energy -9.65 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry C1
Synonyms
  • 17-hydroxycyproterone acetate
  • 17-ohcpa
  • 17beta-hydroxycyproterone acetate
  • 3'h-cyclopropa(1,2)pregna-1,4,6-triene-3,20-dione, 17-(acetyloxy)-6-chloro-1,2-dihydro-17-hydroxy-, (1beta,2beta,15beta)-
CAS Number(s)
  • 65423-26-9
InChIKey HRANPRDGABOKNQ-ORGXEYTDSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O Cl