Androsta-1,4,6-Trien-3-One, 17-(3-Fluoro-1-Propynyl)-11,17-Dihydroxy-6-Methyl-, (11β,17β)-

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Formula C23H27FO3
IUPAC Name (8s,9s,10r,11s,13s,14s,17s)-17-(3-fluoroprop-1-ynyl)-11,17-dihydroxy-6,10,13-trimethyl-9,11,12,14,15,16-hexahydro-8h-cyclopenta[a]phenanthren-3-one
Molecular Mass 370.457 g·mol−1
Heat of Formation -438.8 ± 16.7 kJ·mol−1
Dipole Moment 3.52 ± 1.08 D
Volume 446.34 Å 3
Surface Area 359.86 Å 2
HOMO Energy -9.53 ± 0.55 eV
LUMO Energy -0.71 ± eV
Point Group Symmetry C1
Synonyms
  • (18f)ru 52461
  • (8s,9s,10r,11s,13s,14s,17s)-17-(3-fluoroprop-1-ynyl)-11,17-dihydroxy-6,10,13-trimethyl-9,11,12,14,15,16-hexahydro-8h-cyclopenta[a]phenanthren-3-one
  • 11,17beta-dihydroxy-6-methyl-17alpha-(3-(18f)fluoroprop-1-ynyl)androsta-1,4,6-trien-3-one
  • ru 52461
  • ru-52461
CAS Number(s)
  • 141357-52-0
InChIKey VLSAKDUEJWGFLK-ZFTCBNFESA-N
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