Lexacalcitol

Molecular Formula: C₂₉H₄₈O₄

InChI: InChI=1/C29H48O4/c1-6-29(32,7-2)16-9-17-33-21(4)25-13-14-26-22(10-8-15-28(25,26)5)11-12-23-18-24(30)19-27(31)20(23)3/h11-12,21,24-27,30-32H,3,6-10,13-19H2,1-2,4-5H3/b22-11+,23-12-/t21-,24-,25-,26+,27+,28-/m1/s1

InChIKey: InChIKey=KLZOTDOJMRMLDX-YBBVPDDNBI
SMILES: CCC(CC)(CCCOC(C)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C)O

Names:
    KH 1060
    Lexacalcitol [INN]
    Lexacalcitol
    (1S,3S,5Z)-5-[(2E)-2-[(1R,3aR,7aR)-1-[(1R)-1-(4-ethyl-4-hydroxy-hexoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
    (5Z,7E,20R)-20-((4-Ethyl-4-hydroxyhexyl)oxy)-9,10-secopregna-5,7,10(19)-triene-1alpha,3beta-diol
    1,3-Cyclohexanediol, 5-((1-(1-((4-ethyl-4-hydroxyhexyl)oxy)ethyl)octahydro-7a-methyl-4H-inden-4-ylidene)ethylidene)-4-methylene-, (1S-(1alpha(S*),3abeta,4E(1S*,3R*,5Z),7aalpha))-
    131875-08-6

Registries:
    PubChem CID 5288670
    PubChem ID 208020