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

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Formula C22H26O3
IUPAC Name (8s,9s,10r,11s,13s,14s,17s)-11,17-dihydroxy-10,13-dimethyl-17-prop-1-ynyl-9,11,12,14,15,16-hexahydro-8h-cyclopenta[a]phenanthren-3-one
Molecular Mass 338.440 g·mol−1
Heat of Formation -248.4 ± 16.7 kJ·mol−1
Dipole Moment 5.36 ± 1.08 D
Volume 418.72 Å 3
Surface Area 338.37 Å 2
HOMO Energy -9.59 ± 0.55 eV
LUMO Energy -0.67 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,10r,11s,13s,14s,17s)-11,17-dihydroxy-10,13-dimethyl-17-prop-1-ynyl-9,11,12,14,15,16-hexahydro-8h-cyclopenta[a]phenanthren-3-one
  • 11,17-dihydroxy-17-(1-propynyl)-androsta-1,4,6-trien-3-one,(11beta,17beta)
  • 11,17-dihydroxy-17-pregnane-1,4,6-triene-20-yn-21-methyl-3-one
  • ru 26988
  • ru-26988
  • ru26988
CAS Number(s)
  • 74915-58-5
InChIKey IXJKSIRTUSUXQC-ZXYIWLIBSA-N
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