(17β)-3-Methoxyestra-1,3,5(10)-Trien-17-Yl Phenylcarbamate

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Properties Simple | Detailed

Formula C26H31NO3
IUPAC Name [(8s,9s,13r,14r,17s)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] n-phenylcarbamate
Molecular Mass 405.529 g·mol−1
Heat of Formation -460.8 ± 16.7 kJ·mol−1
Dipole Moment 2.82 ± 1.08 D
Volume 504.84 Å 3
Surface Area 406.16 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy 3.17 ± eV
Point Group Symmetry C1
InChIKey PQMLUQDWRKGALJ-CAIUVPPLSA-N
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