Pregnenolone

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Properties Simple | Detailed

Formula C21H32O2
IUPAC Name 1-[(3s,8s,9s,10r,13s,14s,17s)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]ethanone
Molecular Mass 316.478 g·mol−1
Heat of Formation -522.6 ± 16.7 kJ·mol−1
Dipole Moment 2.16 ± 1.08 D
Volume 415.86 Å 3
Surface Area 327.23 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy 1.00 ± eV
Point Group Symmetry C1
Synonyms
  • (3beta)-3-hydroxypregn-5-en-20-one
  • 1-[(3s,8s,9s,10r,13s,14s,17s)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]ethanone
  • 17beta-[1-ketoethyl]-delta5-androsten-3beta-ol
  • 3-beta-hydroxypregn-5-en-20-one
  • 3beta-hydroxy-5-pregnen-20-one
  • 3beta-hydroxy-5-pregnene-20-one
  • 3beta-hydroxy-delta5-pregnen-20-one
  • 3beta-hydroxypregn-5-en-20-one
  • 3beta-hydroxypregn-5-ene-20-one
  • 5-pregnen-3-beta-ol-20-one
  • 5-pregnen-3beta-ol-20-one
  • 5-pregnenolone
  • bpbio1_000651
  • cmc_13393
  • d00143
  • delta5-pregnen-3beta-ol-20-one
  • delta5-pregnene-3beta-ol-20-one
  • delta5-pregnenolone
  • lmst02030088
  • plo
  • pregn-5-en-20-one, 3-beta-hydroxy-
  • pregn-5-en-20-one, 3-hydroxy-, (3-beta)-
  • pregn-5-en-20-one, 3-hydroxy-, (3beta)-
  • pregn-5-en-20-one, 3beta-hydroxy-
  • pregn-5-en-20-one, 3beta-hydroxy- (8ci)
  • pregn-5-en-3beta-ol-20-one
  • pregn-5-ene-3beta-ol-20-one
  • pregnenolone (jan/inn)
  • pregnenolone (progesterone precursor)
CAS Number(s)
  • 145-13-1
  • 116907-59-6
InChIKey ORNBQBCIOKFOEO-QGVNFLHTSA-N
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