(6β)-6-(2-Butyn-1-Yloxy)Androsta-1,4-Diene-3,17-Dione

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Properties Simple | Detailed

Formula C23H28O3
IUPAC Name (6r,8r,9s,10r,13s,14s)-6-but-2-ynoxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-3,17-dione
Molecular Mass 352.467 g·mol−1
Heat of Formation -271.3 ± 16.7 kJ·mol−1
Dipole Moment 4.33 ± 1.08 D
Volume 445.92 Å 3
Surface Area 361.98 Å 2
HOMO Energy -9.81 ± 0.55 eV
LUMO Energy 2.38 ± eV
Point Group Symmetry C1
InChIKey GNDYBZKXORBCFO-KVAKACLVSA-N
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Elements H C O