(16β,17β)-16-Ethylestra-1,3,5(10)-Triene-3,17-Diol

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Properties Simple | Detailed

Formula C20H28O2
IUPAC Name (8r,9s,13s,14s,16s,17s)-16-ethyl-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Molecular Mass 300.435 g·mol−1
Heat of Formation -460.1 ± 16.7 kJ·mol−1
Dipole Moment 2.76 ± 1.08 D
Volume 386.83 Å 3
Surface Area 319.62 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy 0.20 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,13s,14s,16s,17s)-16-ethyl-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
  • 16beta-ethylestradiol-17beta
CAS Number(s)
  • 62633-99-2
InChIKey RSPINGMAWKOXBT-BZGHQHJYSA-N
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