Estra-1(10),2,4,16-Tetraen-3-Ol

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Formula C18H22O
IUPAC Name (8s,9s,13r,14s)-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-ol
Molecular Mass 254.367 g·mol−1
Heat of Formation -119.9 ± 16.7 kJ·mol−1
Dipole Moment 1.81 ± 1.08 D
Volume 323.85 Å 3
Surface Area 275.94 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy 0.22 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,13r,14s)-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-ol
  • 1,3,5,(10),16-estratetraen-3-ol
CAS Number(s)
  • 1150-90-9
InChIKey CRMOMCHYBNOFIV-BDXSIMOUSA-N
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