18,21-Dihydroxy-19-Norpregn-4-Ene-3,20-Dione

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Properties Simple | Detailed

Formula C20H28O4
IUPAC Name (8r,9s,10r,13r,14s,17s)-17-(2-hydroxyacetyl)-13-(hydroxymethyl)-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-one
Molecular Mass 332.434 g·mol−1
Heat of Formation -780.5 ± 16.7 kJ·mol−1
Dipole Moment 1.11 ± 1.08 D
Volume 409.63 Å 3
Surface Area 329.88 Å 2
HOMO Energy -9.97 ± 0.55 eV
LUMO Energy -0.19 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,10r,13r,14s,17s)-13-(hydroxymethyl)-17-(2-hydroxy-1-oxoethyl)-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-one
  • (8r,9s,10r,13r,14s,17s)-17-(2-hydroxyacetyl)-13-(hydroxymethyl)-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-one
  • (8r,9s,10r,13r,14s,17s)-17-(2-hydroxyethanoyl)-13-(hydroxymethyl)-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-one
  • (8r,9s,10r,13r,14s,17s)-17-glycoloyl-13-methylol-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-one
  • 18-hydroxy-19-nordeoxycorticosterone
  • 18-oh-19-nordoc
  • 19-nor-18-hydroxydeoxycorticosterone
  • 19-norpregn-4-ene-3,20-dione, 18,21-dihydroxy-
CAS Number(s)
  • 88542-91-0
InChIKey TXNMTZQJFAFSJJ-PYCASWLRSA-N
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