(9Xi,17Xi)-9,17-Dihydroxypregn-4-En-20-Yn-3-One

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Formula C21H28O3
IUPAC Name (8s,9r,10s,13s,14s,17s)-17-ethynyl-9,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 328.445 g·mol−1
Heat of Formation -420.3 ± 16.7 kJ·mol−1
Dipole Moment 6.25 ± 1.08 D
Volume 391.48 Å 3
Surface Area 308.13 Å 2
HOMO Energy -9.80 ± 0.55 eV
LUMO Energy -0.09 ± eV
Point Group Symmetry C1
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InChIKey UGLZRWDRJDINHF-HQZQWKOLSA-N
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