(17R)-17-(Chloroethynyl)-13-Ethyl-17-Hydroxy-1,2,6,7,8,9,10,11,12,13,14,15,16,17-Tetradecahydro-3H-Cyclopenta[A]Phenanthren-3-One

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Formula C21H27ClO2
IUPAC Name (8r,9s,10r,13s,14s,17s)-17-(2-chloroethynyl)-13-ethyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 346.891 g·mol−1
Heat of Formation -229.8 ± 16.7 kJ·mol−1
Dipole Moment 4.93 ± 1.08 D
Volume 421.51 Å 3
Surface Area 345.47 Å 2
HOMO Energy -9.77 ± 0.55 eV
LUMO Energy 0.02 ± eV
Point Group Symmetry C1
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InChIKey MISOWVVRHHLGIK-ZUHHCLADSA-N
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Elements H C O Cl