21-Hydroxy-10-(2-Propynyl)-19-Norpregn-4-Ene-3,20-Dione

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Properties Simple | Detailed

Formula C23H30O3
IUPAC Name (8s,9s,10s,13s,14s,17s)-17-(2-hydroxyacetyl)-13-methyl-10-prop-2-ynyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 354.483 g·mol−1
Heat of Formation -381.6 ± 16.7 kJ·mol−1
Dipole Moment 2.48 ± 1.08 D
Volume 442.23 Å 3
Surface Area 346.83 Å 2
HOMO Energy -9.85 ± 0.55 eV
LUMO Energy 2.94 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,10s,13s,14s,17s)-17-(2-hydroxy-1-oxoethyl)-13-methyl-10-prop-2-ynyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • (8s,9s,10s,13s,14s,17s)-17-(2-hydroxyethanoyl)-13-methyl-10-prop-2-ynyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • (8s,9s,10s,13s,14s,17s)-17-glycoloyl-13-methyl-10-propargyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • 19-ac-doc
  • 19-acetylenic-deoxycorticosterone
  • 19-norpregn-4-ene-3,20-dione, 21-hydroxy-10-(2-propynyl)-
CAS Number(s)
  • 127080-69-7
InChIKey FRJMUTSJHOCODZ-ACXQXYJUSA-N
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