11-Hydroxyetiocholanolone

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Properties Simple | Detailed

Formula C19H30O3
IUPAC Name (3r,5r,8s,9s,10s,11s,13s,14s)-3,11-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
Molecular Mass 306.440 g·mol−1
Heat of Formation -736.5 ± 16.7 kJ·mol−1
Dipole Moment 3.33 ± 1.08 D
Volume 387.76 Å 3
Surface Area 302.39 Å 2
HOMO Energy -9.68 ± 0.55 eV
LUMO Energy 0.97 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,5r,8s,9s,10s,11s,13s,14s)-3,11-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
  • 3alpha,11beta-dihydroxy-5beta-androstane-17-one
  • androstan-17-one, 3,11-dihydroxy-, (3.alpha.,5.beta.,11.beta.)-
  • androstan-17-one, 3,11-dihydroxy-, (3alpha,5beta,11beta)- (9ci)
CAS Number(s)
  • 739-26-4
InChIKey PIXFHVWJOVNKQK-DLAZEALESA-N
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