Chenodeoxycholic acid
Properties
- Molecular formula
- C24H40O4
- Molar mass
- 392.58 g/mol
- Exact mass
- 392.2927 Da
- Melting point
- 119 °C
- logP
- 4.48Crippen estimate
- Polar surface area
- 77.8 Ų
- H-bond donors / acceptors
- 3 / 3
- Rotatable bonds
- 4
- Stereocentres
- R, R, S, R, R, S, R, S, S, Rin SMILES atom order
Identifiers
CAS number
474-25-9SMILES
C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12CInChIKey
RUDATBOHQWOJDD-BSWAIDMHSA-NInChI
InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
31 names · show all
- Cholan-24-oic acid, 3,7-dihydroxy-, (3α,5β,7α)-
- 5β-Cholan-24-oic acid, 3α,7α-dihydroxy-
- 5β-Cholanic acid, 3α,7α-dihydroxy-
- (3α,5β,7α)-3,7-Dihydroxycholan-24-oic acid
- Anthropodeoxycholic acid
- Anthropodesoxycholic acid
- Chenodesoxycholic acid
- 3α,7α-Dihydroxycholanic acid
- Gallodesoxycholic acid
- 17β-(1-Methyl-3-carboxypropyl)etiocholane-3α,7α-diol
- 3α,7α-Dihydroxy-5β-cholanic acid
- 3α,7α-Dihydroxy-5β-cholanoic acid
- Anthropododesoxycholic acid
- CDC
- 3α,7α-Dihydroxy-5β-cholan-24-oic acid
- Chenic acid
- Chendol
- Chenodiol
- 7α-Hydroxylithocholic acid
- Chenofalk
- Chenix
- Chenocol
- Chenodex
- Hekbilin
- Ulmenide
- Cholanorm
- Fluibil
- Chenocedon
- Kebilis
- Chenossil
- (+)-Chenodeoxycholic acid
Work with Chenodeoxycholic acid
Similar compounds
Glycochenodeoxycholic acid640-79-979 % similar
Glycoursodeoxycholic acid64480-66-679 % similar
Cholic acid81-25-479 % similar
Lithocholic acid434-13-975 % similar
7-Ketolithocholic acid4651-67-671 % similar
Obeticholic acid459789-99-269 % similar
Glycocholic acid475-31-064 % similar
Ursodoxicoltaurine14605-22-263 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds