Hydrallostane 21-tert-butylacetate

Molecular Formula: C₂₇H₄₂O₆

InChI: InChI=1/C27H42O6/c1-24(2,3)14-22(31)33-15-21(30)27(32)11-9-19-18-7-6-16-12-17(28)8-10-25(16,4)23(18)20(29)13-26(19,27)5/h16,18-20,23,29,32H,6-15H2,1-5H3/t16-,18-,19-,20-,23+,25-,26-,27-/m0/s1

InChIKey: InChIKey=YKFQYPABWRUAQC-XKQVMOMDBF
SMILES: CC12CCC(=O)CC1CCC3C2C(CC4(C3CCC4(C(=O)COC(=O)CC(C)(C)C)O)C)O

Names:
    Hydrallostane 21-tert-butylacetate
    NSC15485
    Pregnane-3,20-dione, 21-[ (3, 3-dimethyl-1-oxobutyl)oxy]-11,17-dihydroxy-, (5.alpha.,11.beta.)-
    5.alpha.-Pregnane-3,20-dione, 11.beta.,17,21-trihydroxy-, 21- (3,3-dimethylbutyrate)
    5936-24-3
    [2-[(5S,8R,9R,10S,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] 3,3-dimethylbutanoate

Registries:
    PubChem CID 225764
    PubChem ID 79367