[(3,17-Dioxoandrost-4-En-19-Yl)Oxy]Acetic Acid

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Properties Simple | Detailed

Formula C21H28O5
IUPAC Name 2-[[(8r,9s,10s,13s,14s)-13-methyl-3,17-dioxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-10-yl]methoxy]acetic acid
Molecular Mass 360.444 g·mol−1
Heat of Formation -947.7 ± 16.7 kJ·mol−1
Dipole Moment 5.45 ± 1.08 D
Volume 436.14 Å 3
Surface Area 346.34 Å 2
HOMO Energy -9.66 ± 0.55 eV
LUMO Energy 0.08 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[[(8r,9s,10s,13s,14s)-13-methyl-3,17-dioxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-10-yl]methoxy]acetic acid
  • 2-[[(8r,9s,10s,13s,14s)-13-methyl-3,17-dioxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-10-yl]methoxy]ethanoic acid
  • 2-[[(8r,9s,10s,13s,14s)-3,17-diketo-13-methyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-10-yl]methoxy]acetic acid
InChIKey KYEKTOOAXOBUGS-YRJWVXGYSA-N
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