3,17-Dioxoestr-4-En-10-Yl Formate

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Properties Simple | Detailed

Formula C19H24O4
IUPAC Name [(8s,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] formate
Molecular Mass 316.391 g·mol−1
Heat of Formation -728.0 ± 16.7 kJ·mol−1
Dipole Moment 4.46 ± 1.08 D
Volume 383.87 Å 3
Surface Area 305.79 Å 2
HOMO Energy -9.91 ± 0.55 eV
LUMO Energy -0.27 ± eV
Point Group Symmetry C1
Synonyms
  • [(8s,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] formate
  • [(8s,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] methanoate
  • formic acid [(8s,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] ester
  • formic acid [(8s,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] ester
InChIKey HPRLLPRHJQYFQS-BGJMDTOESA-N
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