Allopregnanolone

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Properties Simple | Detailed

Formula C21H34O2
IUPAC Name 1-[(3r,5s,8r,9s,10s,13s,14s,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 -621.8 ± 16.7 kJ·mol−1
Dipole Moment 1.44 ± 1.08 D
Volume 419.32 Å 3
Surface Area 327.37 Å 2
HOMO Energy -9.91 ± 0.55 eV
LUMO Energy 0.99 ± eV
Point Group Symmetry C1
Synonyms
  • (3alpha,5alpha)-3-hydroxypregnan-20-one
  • 1-[(3r,5s,8r,9s,10s,13s,14s,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
  • 3-alpha,5-alpha-pregnanolone
  • 3-alpha,5-alpha-tetrahydroprogesterone
  • 3-alpha-hydroxy-5-alpha-pregnan-20-one
  • 3-alpha-oh dhp
  • 3alpha-hydroxy-5alpha-dihydroprogesterone
  • 3alpha-hydroxy-5alpha-pregnan-20-one
  • 3alpha-oh-dhp
  • 5-alpha-pregnan-20-one, 3-alpha-hydroxy-
  • 5alpha pregnan 3alpha ol 20 one
  • 5alpha-pregnan-3alpha-ol-20-one
  • allotetrahydroprogesterone
  • biomol-nt_000266
  • bpbio1_000728
  • pregnan-20-one, 3-hydroxy-, (3-alpha,5-alpha)- (9ci)
CAS Number(s)
  • 516-54-1
InChIKey AURFZBICLPNKBZ-SYBPFIFISA-N
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