(3β,5β,14β,17β)-14-Hydroxy-17-(2-Oxo-2,5-Dihydro-3-Furanyl)Androstan-3-Yl Acetate

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Properties Simple | Detailed

Formula C25H36O5
IUPAC Name [(3s,5r,8r,9s,10s,13r,14s,17s)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2h-furan-4-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
Molecular Mass 416.550 g·mol−1
Heat of Formation -1071.5 ± 16.7 kJ·mol−1
Dipole Moment 5.28 ± 1.08 D
Volume 509.64 Å 3
Surface Area 389.45 Å 2
HOMO Energy -9.85 ± 0.55 eV
LUMO Energy -0.12 ± eV
Point Group Symmetry C1
Synonyms
  • 3beta,14-dihydroxy-21-oxo-23-desoxo-5beta-card-20(22)-enolide 3-acetate
  • [(3s,5r,8r,9s,10s,13r,14s,17s)-14-hydroxy-10,13-dimethyl-17-(2-oxo-5h-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
  • [(3s,5r,8r,9s,10s,13r,14s,17s)-14-hydroxy-10,13-dimethyl-17-(2-oxo-5h-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] ethanoate
  • acetic acid [(3s,5r,8r,9s,10s,13r,14s,17s)-14-hydroxy-10,13-dimethyl-17-(2-oxo-5h-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] ester
  • acetic acid [(3s,5r,8r,9s,10s,13r,14s,17s)-14-hydroxy-17-(2-keto-5h-furan-3-yl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] ester
  • ay 17,605
  • ay 17605
  • ay-17,605
CAS Number(s)
  • 7755-28-4
InChIKey YIGNMQYFYCCUME-KKBDMWJISA-N
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