CAS 145224-92-6: Cholan-24-oic acid, 3,12-dihydroxy-, sodium salt, hydrate (1:1:1), (3α,5β,12α)-
Description:Cholan-24-oic acid, 3,12-dihydroxy-, sodium salt, hydrate (1:1:1), commonly referred to as a sodium salt of a bile acid derivative, is characterized by its structural features that include hydroxyl groups at the 3 and 12 positions of the cholanic acid backbone. This compound is typically soluble in water due to the presence of the sodium salt form, which enhances its hydrophilicity. The hydrate form indicates that it contains water molecules in its crystalline structure, which can influence its stability and solubility. As a bile acid derivative, it may play a role in biological processes such as lipid metabolism and absorption. Its stereochemistry, denoted by the (3α,5β,12α) configuration, suggests specific spatial arrangements of its functional groups, which can affect its biological activity and interaction with receptors. Overall, this compound is of interest in biochemistry and pharmacology, particularly in studies related to cholesterol metabolism and potential therapeutic applications.
Formula:C24H40O4·H2O·Na
InChI:InChI=1S/C24H40O4.Na.H2O/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3;;/h14-21,25-26H,4-13H2,1-3H3,(H,27,28);;1H2/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-;;/m1../s1
InChI key:InChIKey=HKLBTQUQYACMJN-WTCAICSISA-N
SMILES:[Na].O=C(O)CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C.O
- Synonyms:
- Cholan-24-oic acid, 3,12-dihydroxy-, monosodium salt, monohydrate, (3α,5β,12α)-
- Cholan-24-oic acid, 3,12-dihydroxy-, sodium salt, hydrate (1:1:1), (3α,5β,12α)-
- Sodium (3Α,5Β,12Α)-3,12-Dihydroxycholan-24-Oate Hydrate
- Sodium (8Xi,9Xi,14Xi)-3,7,12-Trioxocholan-24-Oate
- Sodium deoxycholate monohydrate
