3-(Allyloxy)-16-(Hydroxyimino)Estra-1,3,5(10)-Trien-17-One

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Formula C21H25NO3
IUPAC Name (8r,9r,13r,14s,16e)-3-allyloxy-16-hydroxyimino-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one
Molecular Mass 339.428 g·mol−1
Heat of Formation -262.0 ± 16.7 kJ·mol−1
Dipole Moment 4.49 ± 1.08 D
Volume 414.18 Å 3
Surface Area 347.63 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy -0.15 ± eV
Point Group Symmetry C1
InChIKey YEDFYMKASYROKP-BULGMMBASA-N
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