Hydroxydione

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Formula C21H32O3
IUPAC Name (5r,8r,9s,10s,13s,14s,17s)-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 332.477 g·mol−1
Heat of Formation -719.4 ± 16.7 kJ·mol−1
Dipole Moment 1.36 ± 1.08 D
Volume 425.41 Å 3
Surface Area 333.59 Å 2
HOMO Energy -9.98 ± 0.55 eV
LUMO Energy 0.44 ± eV
Point Group Symmetry C1
Synonyms
  • (5r,8r,9s,10s,13s,14s,17s)-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
  • (5r,8r,9s,10s,13s,14s,17s)-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
  • (5r,8r,9s,10s,13s,14s,17s)-17-(2-hydroxyethanoyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
  • (5r,8r,9s,10s,13s,14s,17s)-17-glycoloyl-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
  • 21-hydroxy-5beta-pregnan-3,20-dion
  • pregnane-3,20-dione, 21-hydroxy-, (5.beta.)-
  • pregnane-3,20-dione, 21-hydroxy-, (5beta)-
CAS Number(s)
  • 303-01-5
InChIKey USPYDUPOCUYHQL-VEVMSBRDSA-N
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