Hyodeoxycholic acid
Properties
- Molecular formula
- C24H40O4
- Molar mass
- 392.58 g/mol
- Exact mass
- 392.2927 Da
- Melting point
- 198.5 °C
- logP
- 4.48Crippen estimate
- Polar surface area
- 77.8 Ų
- H-bond donors / acceptors
- 3 / 3
- Rotatable bonds
- 4
- Stereocentres
- R, R, S, S, S, R, R, R, S, Rin SMILES atom order
Identifiers
CAS number
83-49-8SMILES
C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12CInChIKey
DGABKXLVXPYZII-SIBKNCMHSA-NInChI
InChI=1S/C24H40O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16+,17-,18+,19+,20+,21+,23-,24-/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
14 names · show all
- Cholan-24-oic acid, 3,6-dihydroxy-, (3α,5β,6α)-
- 5β-Cholan-24-oic acid, 3α,6α-dihydroxy-
- 5β-Cholanic acid, 3α,6α-dihydroxy-
- (3α,5β,6α)-3,6-Dihydroxycholan-24-oic acid
- 3α,6α-Dihydroxy-5β-cholanoic acid
- 3α,6α-Dihydroxy-5β-cholanic acid
- Hyodesoxycholic acid
- α-Hyodeoxycholic acid
- 3α,6α-Dihydroxy-5β-cholan-24-oate
- 6α-Hydroxylithocholic acid
- 3α,6α-Dihydroxy-5β-cholan-24-oic acid
- 7-Deoxyhyocholic acid
- Iodeoxycholic acid
- NSC 60672
Work with Hyodeoxycholic acid
Similar compounds
Lithocholic acid434-13-974 % similar
Sodium hyodeoxycholate10421-49-571 % similar
Obeticholic acid459789-99-267 % similar
7-Ketolithocholic acid4651-67-664 % similar
Cholic acid81-25-462 % similar
Glycochenodeoxycholic acid640-79-960 % similar
Glycoursodeoxycholic acid64480-66-660 % similar
Cholenic acid5255-17-460 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds