3-Hydroxy-2-Methoxyestra-1(10),2,4,7-Tetraen-17-One

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Formula C19H22O3
IUPAC Name (9s,13s,14r)-3-hydroxy-2-methoxy-13-methyl-9,11,12,14,15,16-hexahydro-6h-cyclopenta[a]phenanthren-17-one
Molecular Mass 298.376 g·mol−1
Heat of Formation -455.9 ± 16.7 kJ·mol−1
Dipole Moment 4.25 ± 1.08 D
Volume 361.49 Å 3
Surface Area 309.17 Å 2
HOMO Energy -8.42 ± 0.55 eV
LUMO Energy 3.08 ± eV
Point Group Symmetry C1
InChIKey SDAPOCMGOIRGRQ-HGQUKEQDSA-N
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Elements H C O