Nilestriol

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Properties Simple | Detailed

Formula C25H32O3
IUPAC Name (8s,9s,13s,14r,16r,17r)-3-(cyclopentoxy)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-16,17-diol
Molecular Mass 380.520 g·mol−1
Heat of Formation -388.5 ± 16.7 kJ·mol−1
Dipole Moment 1.72 ± 1.08 D
Volume 442.56 Å 3
Surface Area 374.64 Å 2
HOMO Energy -8.53 ± 0.55 eV
LUMO Energy 3.42 ± eV
Point Group Symmetry C1
InChIKey CHZJRGNDJLJLAW-KCAOPCNBSA-N
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Elements H C O