(3α,5α,14Beta)-3-Hydroxypregnan-20-One

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Properties Simple | Detailed

Formula C21H34O2
IUPAC Name 1-[(3r,5s,8r,9s,10s,13s,14r,17s)-3-hydroxy-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 318.493 g·mol−1
Heat of Formation -624.1 ± 16.7 kJ·mol−1
Dipole Moment 2.70 ± 1.08 D
Volume 418.02 Å 3
Surface Area 326.32 Å 2
HOMO Energy -9.91 ± 0.55 eV
LUMO Energy 1.00 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(3r,5s,8r,9s,10s,13s,14r,17s)-3-hydroxy-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 AURFZBICLPNKBZ-YRCLAMMRSA-N
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