(17β)-3-Hydroxyestra-1,3,5(10)-Trien-17-Yl Cyclooctylacetate

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Properties Simple | Detailed

Formula C28H40O3
IUPAC Name [(8s,9s,13s,14s,17s)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 2-cyclooctylacetate
Molecular Mass 424.615 g·mol−1
Heat of Formation -709.9 ± 16.7 kJ·mol−1
Dipole Moment 3.08 ± 1.08 D
Volume 541.39 Å 3
Surface Area 422.64 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy 0.19 ± eV
Point Group Symmetry C1
InChIKey CZCGBAHDFURTGU-VETGFMSWSA-N
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Elements H C O