(3α,5Beta,7α,12α)-N,3,7,12-Tetrahydroxycholan-24-Amide

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Properties Simple | Detailed

Formula C24H41NO5
IUPAC Name (4r)-4-[(3r,5s,7r,8r,9s,10s,12s,13r,14s,17r)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanehydroxamic acid
Molecular Mass 423.586 g·mol−1
Heat of Formation -1097.9 ± 16.7 kJ·mol−1
Dipole Moment 7.07 ± 1.08 D
Volume 534.77 Å 3
Surface Area 404.25 Å 2
HOMO Energy -9.50 ± 0.55 eV
LUMO Energy 0.77 ± eV
Point Group Symmetry C1
Synonyms
  • (4r)-4-[(3r,5s,7r,8r,9s,10s,12s,13r,14s,17r)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanehydroxamic acid
  • (4r)-n-hydroxy-4-[(3r,5s,7r,8r,9s,10s,12s,13r,14s,17r)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanamide
  • cholylhydroxamic acid
CAS Number(s)
  • 13254-09-6
InChIKey BACXIZVAQPJZOI-OELDTZBJSA-N
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