(3alpha,5beta,6alpha,7alpha)-6-Ethylcholane-3,7,24-triol

CAS: 1537866-49-1

Ref. TR-E919840

Produktinformation

• Name: (3alpha,5beta,6alpha,7alpha)-6-Ethylcholane-3,7,24-triol
• Synonyme: (3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-17-[(2R)-5-hydroxypentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
• CAS: 1537866-49-1

Beschreibung

Applications (3α,5β,6α,7α)-6-Ethylcholane-3,7,24-triol is an impurity of obeticholic acid(E899810). Obeticholic acid is a semi-synthetic acid analogue used as a drug in the treatment of primary biliary cholangitis, and under development for several other liver related diseases.
References Feng, W., et al.: J. Chem. Res., 43, 522 (2019); Feng, W., et al.: Org. Process Res. Dev., 23, 1979 (2019)

• Marke: TRC

Chemische Eigenschaften

• Molekulargewicht: 406.642
• Formel: C₂₆H₄₆O₃
• Farbe/Form: Neat
• InChl: InChI=1S/C26H46O3/c1-5-18-22-15-17(28)10-12-26(22,4)21-11-13-25(3)19(16(2)7-6-14-27)8-9-20(25)23(21)24(18)29/h16-24,27-29H,5-15H2,1-4H3/t16-,17-,18-,19-,20+,21+,22+,23+,24-,25-,26-/m1/s1
• InChI Key: InChIKey=DQBAHTQWQZRMFH-JDCMAIOWSA-N
• SMILES: CC[C@@H]1[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)CCCO)[C@@H]2[C@@H]1O