Choloyl-taurine

Molecular Formula: C25H43NO8S


InChI: InChI=1/C25H43NO8S/c1-14(4-7-22(30)26-13-34-35(31,32)33)17-5-6-18-23-19(12-21(29)25(17,18)3)24(2)9-8-16(27)10-15(24)11-20(23)28/h14-21,23,27-29H,4-13H2,1-3H3,(H,26,30)(H,31,32,33)/t14u,15u,16-,17u,18u,19+,20-,21+,23?,24u,25u/m1/s1/f/h26,31H

InChIKey: InChIKey=FWLBKXICBUMPIS-DFGZCYLEDK
SMILES: CC(CCC(=O)NCOS(=O)(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C

Names:
    Choloyl-taurine
    C02258
    (3R,7R,9S,12S,14S)-3,7,12-trihydroxy-10,13-dimethyl-17-[4-(sulfooxymethylcarbamoyl)butan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene

Registries:
    PubChem CID 439690
    PubChem ID 5320