3B,17-Dihydroxy-5-Pregnen-20-One

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Properties Simple | Detailed

Formula C21H32O3
IUPAC Name 1-[(3s,8r,9s,10r,13s,14s,17r)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone
Molecular Mass 332.477 g·mol−1
Heat of Formation -712.4 ± 16.7 kJ·mol−1
Dipole Moment 3.08 ± 1.08 D
Volume 423.02 Å 3
Surface Area 332.31 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy 0.85 ± eV
Point Group Symmetry C1
Synonyms
  • (3-beta)-3,17-dihydroxypregn-5-en-20-one
  • (3beta)-3,17-dihydroxypregn-5-en-20-one
  • 1-[(3s,8r,9s,10r,13s,14s,17r)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone
  • 17-hydroxy-delta5-pregnenolone
  • 17-hydroxypregnenolone
  • 17alpha-hydroxypregnenolone
  • 17oh-pregn
  • 17oh-pregnenolone
  • 3-beta,17-alpha-dihydroxypregn-5-en-20-one
  • 3-beta,17-dihydroxypregn-5-en-20-one
  • 3beta,17-dihydroxypregn-5-en-20-one
  • 3beta,17alpha-dihydroxy-5-pregnen-20-one
  • 3beta,17alpha-dihydroxypregn-5-ene-20-one
  • 5-pregnen-3beta,17alpha-diol-20-one
  • 5-pregnene-3beta,17alpha-diol-20-one
  • cmc_13421
  • lmst02030089
  • pregn-5-en-20-one, 3,17-dihydroxy-, (3-beta)-
  • pregn-5-en-20-one, 3,17-dihydroxy-, (3-beta)- (9ci)
  • pregn-5-en-20-one, 3,17-dihydroxy-, (3beta)- (9ci)
  • pregn-5-en-20-one, 3-beta,17-dihydroxy-
  • pregn-5-en-20-one, 3beta,17-dihydroxy-
  • pregn-5-en-20-one, 3beta,17-dihydroxy- (8ci)
CAS Number(s)
  • 387-79-1
InChIKey JERGUCIJOXJXHF-TVWVXWENSA-N
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