Acetic Acid, (((17β)-17-Hydroxy-3-Oxoandrost-4-En-4-Yl)Thio)-

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Formula C21H30O4S
IUPAC Name 2-[[(8r,9s,10r,13s,14r,17s)-17-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-4-yl]sulfanyl]acetic acid
Molecular Mass 378.526 g·mol−1
Heat of Formation -868.4 ± 16.7 kJ·mol−1
Dipole Moment 5.84 ± 1.08 D
Volume 459.75 Å 3
Surface Area 346.47 Å 2
HOMO Energy -8.52 ± 0.55 eV
LUMO Energy -0.48 ± eV
Point Group Symmetry C1
InChIKey XJAHBTGAKFTOBY-IIKVDDIWSA-N
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