Deoxycholic Acid

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Properties Simple | Detailed

Formula C24H40O4
IUPAC Name (4r)-4-[(3r,5r,8r,9s,10s,12s,13r,14s,17r)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Molecular Mass 392.572 g·mol−1
Heat of Formation -1081.1 ± 16.7 kJ·mol−1
Dipole Moment 2.68 ± 1.08 D
Volume 506.44 Å 3
Surface Area 386.01 Å 2
HOMO Energy -10.02 ± 0.55 eV
LUMO Energy 0.99 ± eV
Point Group Symmetry C1
Synonyms
  • (3alpha,5alpha,12alpha)-3,12-dihydroxycholan-24-oic acid
  • (3alpha,5beta,12alpha)-3,12-dihydroxycholan-24-oic acid
  • (4r)-4-[(3r,5r,8r,9s,10s,12s,13r,14s,17r)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanoic acid
  • (4r)-4-[(3r,5r,8r,9s,10s,12s,13r,14s,17r)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]valeric acid
  • 17.beta.-(1-methyl-3-carboxypropyl)-etiocholane-3.alpha.,12.alpha.-diol
  • 3,12-dihydroxycholanic acid
  • 3-hydroxy-polydeoxycholic acid
  • 3.alpha.,12.alpha.-dihydroxy-5.beta.-cholan-24-oic acid
  • 3.alpha.,12.alpha.-dihydroxy-5.beta.-cholanic acid
  • 3.alpha.,12.alpha.-dihydroxy-5.beta.-cholanoic acid
  • 3.alpha.,12.alpha.-dihydroxycholanic acid
  • 3alpha,12alpha-dihydroxy-5beta-cholan-24-oic acid
  • 3alpha,12alpha-dihydroxy-5beta-cholanic acid
  • 3alpha-hydroxy-polydeoxycholate
  • 5.beta.-cholan-24-oic acid, 3.alpha.,12.alpha.-dihydroxy-
  • 7-deoxycholic acid
  • 7.alpha.-deoxycholic acid
  • 7alpha-deoxycholic acid
  • cholan-24-oic acid, 3,12-dihydroxy-, (3-.alpha., 5-.beta.,12-.alpha.)-
  • cholan-24-oic acid, 3,12-dihydroxy-, (3-alpha,5-beta,12-alpha)-
  • cholan-24-oic acid, 3,12-dihydroxy-, (3.alpha.,5.beta.,12.alpha.)-
  • cholan-24-oic acid, 3,12-dihydroxy-, (3alpha,5beta,12alpha)-, homopolymer
  • choleic acid
  • cholerebic
  • cholic acid, deoxy-
  • cholorebic
  • degalol
  • deoxycholatic acid
  • desoxycholic acid
  • desoxycholsaeure
  • droxolan
  • dxc
  • lmst04010040
  • pyrochol
  • septochol
CAS Number(s)
  • 115349-14-9
  • 83-44-3
InChIKey KXGVEGMKQFWNSR-LLQZFEROSA-N
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