17-Hydroxypregn-4-En-20-Yn-3-One

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Properties Simple | Detailed

Formula C21H28O2
IUPAC Name (8r,9s,10r,13s,14s,17s)-17-ethynyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
Molecular Mass 312.446 g·mol−1
Heat of Formation -236.8 ± 16.7 kJ·mol−1
Dipole Moment 5.40 ± 1.08 D
Volume 403.64 Å 3
Surface Area 321.17 Å 2
HOMO Energy -9.75 ± 0.55 eV
LUMO Energy 0.03 ± eV
Point Group Symmetry C1
Synonyms
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InChIKey CHNXZKVNWQUJIB-SJFWLOONSA-N
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