(17β)-3,17-Dihydroxyestra-1,3,5(10)-Trien-6-One

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Properties Simple | Detailed

Formula C18H22O3
IUPAC Name (8r,9s,13s,14s,17r)-3,17-dihydroxy-13-methyl-8,9,11,12,14,15,16,17-octahydro-7h-cyclopenta[a]phenanthren-6-one
Molecular Mass 286.365 g·mol−1
Heat of Formation -540.0 ± 16.7 kJ·mol−1
Dipole Moment 3.39 ± 1.08 D
Volume 348.57 Å 3
Surface Area 291.99 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -0.56 ± eV
Point Group Symmetry C1
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InChIKey ZHTDDOWJIRXOMA-OGSMBTDCSA-N
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