Anicequol

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Formula C30H48O6
IUPAC Name [(3s,5s,7r,8s,9s,10r,11s,13s,14s,16s,17r)-3,7,11-trihydroxy-10,13-dimethyl-6-oxo-17-[(e,1r,4r)-1,4,5-trimethylhex-2-enyl]-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
Molecular Mass 504.699 g·mol−1
Heat of Formation 713.0 ± 16.7 kJ·mol−1
Dipole Moment 4.58 ± 1.08 D
Volume 628.46 Å 3
Surface Area 463.34 Å 2
Point Group Symmetry C1
Synonyms
  • [(3s,5s,7r,8s,9s,10r,11s,13s,14s,16s,17r)-17-[(e,2r,5r)-5,6-dimethylhept-3-en-2-yl]-3,7,11-trihydroxy-10,13-dimethyl-6-oxo-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
  • [(3s,5s,7r,8s,9s,10r,11s,13s,14s,16s,17r)-17-[(e,2r,5r)-5,6-dimethylhept-3-en-2-yl]-3,7,11-trihydroxy-10,13-dimethyl-6-oxo-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] ethanoate
  • [(3s,5s,7r,8s,9s,10r,11s,13s,14s,16s,17r)-3,7,11-trihydroxy-10,13-dimethyl-6-oxo-17-[(e,1r,4r)-1,4,5-trimethylhex-2-enyl]-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
  • acetic acid [(3s,5s,7r,8s,9s,10r,11s,13s,14s,16s,17r)-3,7,11-trihydroxy-10,13-dimethyl-6-oxo-17-[(e,1r,4r)-1,4,5-trimethylhex-2-enyl]-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] ester
  • acetic acid [(3s,5s,7r,8s,9s,10r,11s,13s,14s,16s,17r)-3,7,11-trihydroxy-6-keto-10,13-dimethyl-17-[(e,1r,4r)-1,4,5-trimethylhex-2-enyl]-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] ester
InChIKey LWMKDRSIMLTGDK-TZEVRYHJSA-N
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