(3α,5Beta)-3-Hydroxypregn-16-En-20-One

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Properties Simple | Detailed

Formula C21H32O2
IUPAC Name 1-[(3r,5r,8r,9s,10s,13s,14s)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]ethanone
Molecular Mass 316.478 g·mol−1
Heat of Formation -507.7 ± 16.7 kJ·mol−1
Dipole Moment 2.61 ± 1.08 D
Volume 415.8 Å 3
Surface Area 326.67 Å 2
HOMO Energy -9.88 ± 0.55 eV
LUMO Energy 0.09 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(3r,5r,8r,9s,10s,13s,14s)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]ethanone
  • 16-dehydropregnanolone
  • 16-pregnenolone
  • 3-alpha-hydroxy-5-beta-pregn-16-en-20-one
  • 5-beta-pregn-16-en-20-one, 3-alpha-hydroxy-
  • pregn-16-en-20-one, 3-hydroxy-, (3-alpha,5-beta)- (9ci)
CAS Number(s)
  • 566-60-9
InChIKey SFXPZLCQRZASKK-UHGZNKHPSA-N
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