Halistanol trisulfate

Molecular Formula: C29H52O12S3


InChI: InChI=1/C29H52O12S3/c1-17(8-9-18(2)27(3,4)5)20-10-11-21-19-14-24(39-42(30,31)32)23-15-25(40-43(33,34)35)26(41-44(36,37)38)16-29(23,7)22(19)12-13-28(20,21)6/h17-26H,8-16H2,1-7H3,(H,30,31,32)(H,33,34,35)(H,36,37,38)/t17-,18+,19+,20-,21+,22+,23-,24+,25+,26+,28-,29-/m1/s1/f/h30,33,36H

InChIKey: InChIKey=UYXOPBYFUWYADH-DUJZDHBZDB
SMILES: CC(CCC(C)C(C)(C)C)C1CCC2C1(CCC3C2CC(C4C3(CC(C(C4)OS(=O)(=O)O)OS(=O)(=O)O)C)OS(=O)(=O)O)C

Names:
    Ergostane-2,3,6-triol, 25-methyl-, tris(hydrogen sulfate), (2beta,3alpha,5alpha,6alpha,24zeta)-
    Halistanol sulfate
    Halistanol trisulfate
    (2S,3S,5R,6S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-2,3,6-trisulfooxy-17-[(2R,5S)-5,6,6-trimethylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
    103065-20-9

Registries:
    PubChem CID 73361
    PubChem ID 215615