(5α,11Beta)-11-Hydroxypregnane-3,20-Dione

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Formula C21H32O3
IUPAC Name (5s,8s,9s,10s,11s,13s,14s,17s)-17-acetyl-11-hydroxy-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 -725.2 ± 16.7 kJ·mol−1
Dipole Moment 5.12 ± 1.08 D
Volume 423.02 Å 3
Surface Area 328.78 Å 2
HOMO Energy -9.81 ± 0.55 eV
LUMO Energy 0.76 ± eV
Point Group Symmetry C1
Synonyms
  • (5s,8s,9s,10s,11s,13s,14s,17s)-17-acetyl-11-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
  • (5s,8s,9s,10s,11s,13s,14s,17s)-17-ethanoyl-11-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
InChIKey XHCCPSKYYJBSAA-HFLNPCQSSA-N
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