(7α,17Beta)-Estra-1,3,5(10)-Triene-3,7,17-Triol

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Formula C18H24O3
IUPAC Name (7r,8r,9s,13s,14s,17s)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,7,17-triol
Molecular Mass 288.381 g·mol−1
Heat of Formation -597.4 ± 16.7 kJ·mol−1
Dipole Moment 1.08 ± 1.08 D
Volume 354.79 Å 3
Surface Area 293.43 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy 0.04 ± eV
Point Group Symmetry C1
Synonyms
  • (7r,8r,9s,13s,14s,17s)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,7,17-triol
CAS Number(s)
  • 3398-11-6
InChIKey CQPNIWHVQNCXHA-HTPGKPQGSA-N
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