Surestryl

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Properties Simple | Detailed

Formula C21H26O3
IUPAC Name (8s,9s,11s,13s,14s,17r)-17-ethynyl-11-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-3,17-diol
Molecular Mass 326.429 g·mol−1
Heat of Formation -310.6 ± 16.7 kJ·mol−1
Dipole Moment 2.50 ± 1.08 D
Volume 407.2 Å 3
Surface Area 329.79 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy 0.33 ± eV
Point Group Symmetry C1
Synonyms
  • (11beta,17beta)-17-ethynyl-11-methoxyestra-1,3,5(10)-triene-3,17-diol
  • (8s,9s,11s,13s,14s,17r)-17-ethynyl-11-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-3,17-diol
  • 11beta-methoxy-17alpha-ethinylestradiol
  • moxestrol
CAS Number(s)
  • 34816-55-2
InChIKey MTMZZIPTQITGCY-OLGWUGKESA-N
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