Flocalcitriol

Molecular Formula: C₂₇H₃₈F₆O₃

InChI: InChI=1/C27H38F6O3/c1-16(6-4-13-25(36,26(28,29)30)27(31,32)33)21-10-11-22-18(7-5-12-24(21,22)3)8-9-19-14-20(34)15-23(35)17(19)2/h8-9,16,20-23,34-36H,2,4-7,10-15H2,1,3H3/b18-8+,19-9-/t16-,20-,21-,22+,23+,24-/m1/s1

InChIKey: InChIKey=XPYGGHVSFMUHLH-UUSULHAXBP
SMILES: CC(CCCC(C(F)(F)F)(C(F)(F)F)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C

Names:
    Falecalcitriol [INN]
    falecalcitriol
    Flocalcitriol
    Hornel, Fulstan
    Ro 23-4194
    ST 630
    (+)-(5Z,7E)-26,26,26,27,27,27-Hexafluoro-9,10-secocholesta-5,7,10(19)-triene-1alpha,3beta,25-triol
    (1S,3S,5Z)-5-[(2E)-2-[(1R,3aR,7aR)-7a-methyl-1-[(2R)-7,7,7-trifluoro-6-hydroxy-6-(trifluoromethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
    26,26,26,27,27,27-Hexafluoro-1,25-dihydroxyvitamin D3
    83805-11-2
    9,10-Secocholesta-5,7,10(19)-triene-1,3,25-triol, 26,26,26,27,27,27-hexafluoro-, (1-alpha,3-beta,5Z,7E)-

Registries:
    PubChem CID 5282190
    PubChem ID 213491