2,3-Dihydroxyestra-1,3,5(10)-Trien-17-One

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Properties Simple | Detailed

Formula C18H22O3
IUPAC Name (8r,9s,13s,14s)-2,3-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-one
Molecular Mass 286.365 g·mol−1
Heat of Formation -548.7 ± 16.7 kJ·mol−1
Dipole Moment 5.11 ± 1.08 D
Volume 348.63 Å 3
Surface Area 293.49 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy 0.02 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,13s,14s)-2,3-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-one
  • 2,3-dihydroxy-estra-1,3,5(10)-trien-17-one
  • 2-hydroxyestrone
  • catecholestrone
  • estra-1,3,5(10)-trien-17-one, 2,3-dihydroxy-
  • lmst02010032
CAS Number(s)
  • 362-06-1
InChIKey SWINWPBPEKHUOD-JPVZDGGYSA-N
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DOI
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