(3B)-6-Chloro-3,17-Dihydroxypregna-4,6-Dien-20-One

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Formula C21H29ClO3
IUPAC Name 1-[(3s,8r,9s,10r,13s,14s,17r)-6-chloro-3,17-dihydroxy-10,13-dimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]ethanone
Molecular Mass 364.906 g·mol−1
Heat of Formation -656.6 ± 16.7 kJ·mol−1
Dipole Moment 4.80 ± 1.08 D
Volume 436.51 Å 3
Surface Area 344.58 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy -0.25 ± eV
Point Group Symmetry C1
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InChIKey WZTUZRFSDWXDRM-IAGOJMRCSA-N
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Elements H C O Cl