3α-Hydroxy-5α-Pregna-9(11),16-Diene-20-One

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Properties Simple | Detailed

Formula C21H30O2
IUPAC Name 1-[(3r,5s,8s,10s,13s,14s)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15-decahydro-1h-cyclopenta[a]phenanthren-17-yl]ethanone
Molecular Mass 314.462 g·mol−1
Heat of Formation -423.3 ± 16.7 kJ·mol−1
Dipole Moment 3.13 ± 1.08 D
Volume 408.46 Å 3
Surface Area 325.7 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy 0.05 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(3r,5s,8s,10s,13s,14s)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15-decahydro-1h-cyclopenta[a]phenanthren-17-yl]ethanone
  • 3-hpdo
  • pregna-9(11),16-dien-20-one, 3-hydroxy-, (3alpha,5alpha)-
CAS Number(s)
  • 38393-04-3
InChIKey OAYVNTJIQBDDEZ-GEZWIXNASA-N
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