5beta-Cyprinolsulfate

Molecular Formula: C27H48O8S


InChI: InChI=1/C27H48O8S/c1-16(5-4-6-17(14-28)15-35-36(32,33)34)20-7-8-21-25-22(13-24(31)27(20,21)3)26(2)10-9-19(29)11-18(26)12-23(25)30/h16-25,28-31H,4-15H2,1-3H3,(H,32,33,34)/t16u,17?,18u,19-,20u,21u,22u,23-,24+,25?,26u,27u/m1/s1/f/h32H

InChIKey: InChIKey=KAOLEMQCYWHOJQ-XEQIJFAQDE
SMILES: CC(CCCC(CO)COS(=O)(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C

Names:
    C05468
    (3R,7R,12S)-3,7,12-trihydroxy-17-[6-(hydroxymethyl)-7-sulfooxy-heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
    5beta-Cyprinolsulfate

Registries:
    PubChem CID 440691
    PubChem ID 7828