(8Xi,9Xi,14Xi)-3-Hydroxyestra-1,3,5(10)-Trien-17-Yl 3-Cyclopentylpropanoate

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Properties Simple | Detailed

Formula C26H36O3
IUPAC Name [(8s,9r,13r,14s,17r)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 3-cyclopentylpropanoate
Molecular Mass 396.562 g·mol−1
Heat of Formation -713.0 ± 16.7 kJ·mol−1
Dipole Moment 3.18 ± 1.08 D
Volume 516.15 Å 3
Surface Area 403.07 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy 0.21 ± eV
Point Group Symmetry C1
InChIKey UOACKFBJUYNSLK-IIDPJMFPSA-N
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