Ursodeoxycholic Acid

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Properties Simple | Detailed

Formula C24H40O4
IUPAC Name (4r)-4-[(3r,5s,7s,8r,9s,10s,13r,14s,17r)-3,7-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 -1084.5 ± 16.7 kJ·mol−1
Dipole Moment 3.57 ± 1.08 D
Volume 507.72 Å 3
Surface Area 388.45 Å 2
HOMO Energy -9.87 ± 0.55 eV
LUMO Energy 0.98 ± eV
Point Group Symmetry C1
Synonyms
  • (3alpha,5beta,7beta)-3,7-dihydroxycholan-24-oic acid
  • (3alpha,5beta,7beta,8xi)-3,7-dihydroxycholan-24-oic acid
  • (4r)-4-[(3r,5s,7s,8r,9s,10s,13r,14s,17r)-3,7-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,5s,7s,8r,9s,10s,13r,14s,17r)-3,7-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,7-beta-diol
  • 3,7-dihydroxycholan-24-oic acid
  • 3-alpha,7-beta-dihydroxy-5-beta-cholanoic acid
  • 3-alpha,7-beta-dihydroxycholanic acid
  • 3-alpha,7-beta-dioxycholanic acid
  • 3alpha,7beta-dihydroxy-5beta-cholan-24-oic acid
  • 5-beta-cholan-24-oic acid, 3-alpha,7-beta-dihydroxy-
  • 5beta-cholan-24-oic acid-3alpha,7beta-diol
  • 7-beta-hydroxylithocholic acid
  • 7beta-hydroxylithocholic acid
  • actigall
  • arsacol
  • bpbio1_001052
  • cholan-24-oic acid, 3,7-dihydroxy-, (3-alpha,5-beta,7-beta)- (9ci)
  • cholan-24-oic acid, 3,7-dihydroxy-, (3alpha,5beta,7beta)-
  • cholit-ursan
  • d00734
  • delursan
  • destolit
  • deursil
  • iso-ursodeoxycholic acid
  • iu5
  • litursol
  • lmst04010033
  • lyeton
  • peptarom
  • smp2_000012
  • solutrat
  • udcs
  • ursacol
  • urso
  • urso ds
  • urso forte
  • ursobilin
  • ursochol
  • ursocholic acid, deoxy-
  • ursodamor
  • ursodeoxycholic acid (jp15/inn)
  • ursodesoxycholic acid
  • ursodiol
  • ursodiol (usp)
  • ursofalk
  • ursolvan
CAS Number(s)
  • 50809-41-1
  • 80225-86-1
  • 128-13-2
InChIKey RUDATBOHQWOJDD-UZVSRGJWSA-N
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