(4Ar,4Bs,5S,6As,6Bs,9As,10As,10Bs)-6B-(Chloroacetyl)-5-Hydroxy-4A,6A,8,8-Tetramethyl-3,4,4A,4B,5,6,6A,6B,9A,10,10A,10B,11,12-Tetradecahydro-2H-Naphtho[2',1':4,5]Indeno[1,2-D][1,3]Dioxol-2-One

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Formula C24H33ClO5
IUPAC Name (1s,2s,4s,8s,9s,11s,12s,13r)-8-(2-chloroacetyl)-11-hydroxy-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-one
Molecular Mass 436.969 g·mol−1
Heat of Formation -870.6 ± 16.7 kJ·mol−1
Dipole Moment 2.87 ± 1.08 D
Volume 508.78 Å 3
Surface Area 385.17 Å 2
HOMO Energy -9.84 ± 0.55 eV
LUMO Energy -0.09 ± eV
Point Group Symmetry C1
Synonyms
  • 21-chloro-11beta,16alpha,17alpha-trihydroxypregn-4-ene-3,20-dione, 16,17-acetonide
  • sq 20,811
  • sq 20811
CAS Number(s)
  • 630-44-4
InChIKey FXFIRGYQADSTIQ-JGHJVBRBSA-N
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Elements H C O Cl