(3α)-3,17-Dihydroxypregn-5-En-20-One

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Properties Simple | Detailed

Formula C21H32O3
IUPAC Name 1-[(3r,8r,9s,10r,13s,14s,17r)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone
Molecular Mass 332.477 g·mol−1
Heat of Formation -711.0 ± 16.7 kJ·mol−1
Dipole Moment 3.65 ± 1.08 D
Volume 421.34 Å 3
Surface Area 329.56 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy 0.63 ± eV
Point Group Symmetry C1
InChIKey JERGUCIJOXJXHF-OGNRNXDYSA-N
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