(16Z)-3-Hydroxy-16-(Methoxymethylene)Estra-1(10),2,4-Trien-17-One

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Formula C20H24O3
IUPAC Name (8r,9r,13r,14s,16e)-3-hydroxy-16-(methoxymethylene)-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one
Molecular Mass 312.403 g·mol−1
Heat of Formation -468.9 ± 16.7 kJ·mol−1
Dipole Moment 4.70 ± 1.08 D
Volume 385.28 Å 3
Surface Area 320.97 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy 3.19 ± eV
Point Group Symmetry C1
InChIKey NOXMCZODAUXMRD-UIUSKMAXSA-N
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Elements H C O