(3α,5α,17Beta)-3-Hydroxyestrane-17-Carbonitrile

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Formula C19H29NO
IUPAC Name (3r,5s,8r,9r,10s,13s,14s,17s)-3-hydroxy-13-methyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene-17-carbonitrile
Molecular Mass 287.440 g·mol−1
Heat of Formation -303.6 ± 16.7 kJ·mol−1
Dipole Moment 2.47 ± 1.08 D
Volume 381.9 Å 3
Surface Area 308.53 Å 2
HOMO Energy -10.27 ± 0.55 eV
LUMO Energy 1.27 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,5s,8r,9r,10s,13s,14s,17s)-3-hydroxy-13-methyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene-17-carbonitrile
  • 3-hydroxy-5-estrane-17-carbonitrile
  • 3-ohecn
CAS Number(s)
  • 151774-83-3
InChIKey JAGRUIBFFLIBNA-NBSGIVTRSA-N
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