(3β,7β,17β)-7-(4-Methoxyphenyl)Androst-5-Ene-3,17-Diyl Diacetate

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Properties Simple | Detailed

Formula C30H40O5
IUPAC Name [(3s,7r,8r,9s,10r,13s,14s,17s)-17-acetoxy-7-(4-methoxyphenyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl] acetate
Molecular Mass 480.636 g·mol−1
Heat of Formation -985.3 ± 16.7 kJ·mol−1
Dipole Moment 5.19 ± 1.08 D
Volume 599.08 Å 3
Surface Area 473.84 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy 0.25 ± eV
Point Group Symmetry C1
Synonyms
  • 3,17-dampa
  • 3,17-dihydroxy-7-(4-methoxyphenyl)-androst-5-ene 3,17-diacetate
  • [(3s,7r,8r,9s,10r,13s,14s,17s)-3-acetoxy-7-(4-methoxyphenyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl] acetate
  • [(3s,7r,8r,9s,10r,13s,14s,17s)-3-acetyloxy-7-(4-methoxyphenyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl] acetate
  • [(3s,7r,8r,9s,10r,13s,14s,17s)-3-acetyloxy-7-(4-methoxyphenyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl] ethanoate
  • acetic acid [(3s,7r,8r,9s,10r,13s,14s,17s)-3-acetoxy-7-(4-methoxyphenyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl] ester
  • androst-5-ene-3,17-diol, 7-(4-methoxyphenyl)-, diacetate, (3beta,7beta,17beta)-
CAS Number(s)
  • 168412-87-1
InChIKey IMWRDPRQZBFXIQ-HYAUSYAKSA-N
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