16-Dehydropregnenolone Acetate

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Properties Simple | Detailed

Formula C21H30O2
IUPAC Name 1-[(3s,8r,9s,10r,13s,14s)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1h-cyclopenta[a]phenanthren-17-yl]ethanone
Molecular Mass 314.462 g·mol−1
Heat of Formation -415.3 ± 16.7 kJ·mol−1
Dipole Moment 4.05 ± 1.08 D
Volume 409.96 Å 3
Surface Area 328.43 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy 0.03 ± eV
Point Group Symmetry C1
Synonyms
  • (3beta)-3-hydroxypregna-5,16-dien-20-one
  • .delta.16-pregnenolone
  • 1-[(3s,8r,9s,10r,13s,14s)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1h-cyclopenta[a]phenanthren-17-yl]ethanone
  • 16-dehydropregnenolone
  • 16-dehydropregnolone
  • 3-beta-hydroxypregna-5,16-dien-20-one
  • 3beta-hydroxypregna-5,16-dien-20-one
  • 5,16-pregnadien-3beta-ol-20-one
  • bb_nc-0066
  • delta(16)-pregnenolone
  • delta16-pregnenolone
  • pregna-5,16-dien-20-one, 3-hydroxy-, (3beta)- (9ci)
  • pregna-5,16-dien-20-one, 3beta-hydroxy- (8ci)
CAS Number(s)
  • 1162-53-4
InChIKey YLFRRPUBVUAHSR-RRPFGEQOSA-N
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