(5α)-Pregnan-20-One

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Properties Simple | Detailed

Formula C21H34O
IUPAC Name 1-[(5r,8r,9s,10s,13s,14s,17s)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]ethanone
Molecular Mass 302.494 g·mol−1
Heat of Formation -437.6 ± 16.7 kJ·mol−1
Dipole Moment 3.12 ± 1.08 D
Volume 406.24 Å 3
Surface Area 320.12 Å 2
HOMO Energy -9.84 ± 0.55 eV
LUMO Energy 1.05 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(5r,8r,9s,10s,13s,14s,17s)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]ethanone
InChIKey RSRDWHPVTMQUGZ-QYYVTAPASA-N
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Elements H C O