(8α,17α)-17-Hydroxy-2,2,17-Trimethylestra-4,9,11-Trien-3-One

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Properties Simple | Detailed

Formula C21H28O2
IUPAC Name (8r,13s,14s,17r)-17-hydroxy-2,2,13,17-tetramethyl-6,7,8,14,15,16-hexahydro-1h-cyclopenta[a]phenanthren-3-one
Molecular Mass 312.446 g·mol−1
Heat of Formation -364.9 ± 16.7 kJ·mol−1
Dipole Moment 6.81 ± 1.08 D
Volume 404.54 Å 3
Surface Area 322.31 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy -0.45 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,13s,14s,17r)-17-hydroxy-2,2,13,17-tetramethyl-6,7,8,14,15,16-hexahydro-1h-cyclopenta[a]phenanthren-3-one
  • 17beta-hydroxy-2alpha,2beta,17alpha-trimethyl-8alpha-estra-4,9,11-trien-3-one
  • estra-4,9,11-trien-3-one, 17-hydroxy-2,2,17-trimethyl-, (8alpha,17beta)-
  • r 2956
  • r-2956
CAS Number(s)
  • 42438-88-0
InChIKey VFKZTCQVCJGPGF-STRKUORWSA-N
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