(3α,5Beta,7α,12α)-24-Oxocholane-3,7,12-Triyl Triformate

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Formula C27H40O7
IUPAC Name [(3r,5s,7r,8r,9s,10s,12s,13r,14s,17r)-10,13-dimethyl-17-[(1r)-1-methyl-4-oxo-butyl]-3,7-bis(oxomethoxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-12-yl] formate
Molecular Mass 476.602 g·mol−1
Heat of Formation -1099.3 ± 16.7 kJ·mol−1
Dipole Moment 6.30 ± 1.08 D
Volume 586.83 Å 3
Surface Area 437.03 Å 2
Point Group Symmetry C1
Synonyms
  • 3,7,12-tfca
  • 3,7,12-triformoxycholan-24-al
  • 3alpha,7alpha,12alpha-triformoxy-5beta-cholan-24-al
  • [(3r,5s,7r,8r,9s,10s,12s,13r,14s,17r)-3,7-diformyloxy-10,13-dimethyl-17-[(1r)-1-methyl-4-oxo-butyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-12-yl] formate
  • [(3r,5s,7r,8r,9s,10s,12s,13r,14s,17r)-3,7-diformyloxy-10,13-dimethyl-17-[(2r)-5-oxopentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-12-yl] formate
  • [(3r,5s,7r,8r,9s,10s,12s,13r,14s,17r)-3,7-dimethanoyloxy-10,13-dimethyl-17-[(2r)-5-oxopentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-12-yl] methanoate
  • formic acid [(3r,5s,7r,8r,9s,10s,12s,13r,14s,17r)-3,7-diformyloxy-10,13-dimethyl-17-[(1r)-1-methyl-4-oxobutyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-12-yl] ester
  • formic acid [(3r,5s,7r,8r,9s,10s,12s,13r,14s,17r)-3,7-diformyloxy-17-[(1r)-4-keto-1-methyl-butyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-12-yl] ester
CAS Number(s)
  • 84965-66-2
InChIKey ZTRYXNAUTGXGCK-XJZYBRFWSA-N
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