21-Chloropregn-4-En-3,20-Dione

Molecule SVG Image

Properties Simple | Detailed

Formula C21H29ClO2
IUPAC Name (8s,9s,10r,13s,14s,17s)-17-(2-chloroacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 348.907 g·mol−1
Heat of Formation -492.7 ± 16.7 kJ·mol−1
Dipole Moment 1.64 ± 1.08 D
Volume 431.35 Å 3
Surface Area 341.58 Å 2
HOMO Energy -9.84 ± 0.55 eV
LUMO Energy -0.07 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,10r,13s,14s,17s)-17-(2-chloro-1-oxoethyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • (8s,9s,10r,13s,14s,17s)-17-(2-chloroacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • (8s,9s,10r,13s,14s,17s)-17-(2-chloroethanoyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • 21-chloroprogesterone
  • pregn-4-ene-3,20-dione, 21-chloro-
CAS Number(s)
  • 26987-64-4
InChIKey YYGHYPOZSPWGOH-YFWFAHHUSA-N
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Elements H C O Cl