(15α,17Beta)-Estra-1,3,5(10)-Triene-3,15,17-Triol

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Properties Simple | Detailed

Formula C18H24O3
IUPAC Name (8r,9s,13s,14s,15s,17s)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,15,17-triol
Molecular Mass 288.381 g·mol−1
Heat of Formation -598.5 ± 16.7 kJ·mol−1
Dipole Moment 2.32 ± 1.08 D
Volume 355.52 Å 3
Surface Area 295.29 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy 0.21 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,13s,14s,15s,17s)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,15,17-triol
  • 15alpha-hydroxyestradiol
  • estra-1,3,5(10)-triene-3,15alpha,17-triol
CAS Number(s)
  • 570-30-9
InChIKey QVQMPLATUBCZMQ-GVLSGGHMSA-N
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