LIPID MAPS

Structure Database (LMSD)

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Common Name

2alpha-Fluoro-19-nor-22-oxa-1alpha,25-dihydroxyvitamin D3

Systematic Name

(5E,7E)-(1R,2S,3R)-2-fluoro-22-oxa-19-nor-9,10-seco-5,7-cholestadien-1,3,25-triol

Synonyms

LM ID

LMST03020616

Formula

C₂₅H₄₁O₄F

Exact Mass

Calculate m/z

424.298888

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

synthetic construct (#32630)

Catalytic asymmetric synthesis and anticancer effects of the novel non-calcemic analog of vitamin D, 2α-fluoro-19-nor-22-oxa-1α,25-dihydroxyvitamin D3 in metastatic lung carcinoma,
J Fluor Chem, 2007

DOI: 10.1016/j.jfluchem.2007.03.002

String Representations

InChiKey (Click to copy)

IWGFRYMZFYVCFY-AQDMPPKVSA-N

InChi (Click to copy)

InChI=1S/C25H41FO4/c1-16(30-13-12-24(2,3)29)19-9-10-20-18(6-5-11-25(19,20)4)8-7-17-14-21(27)23(26)22(28)15-17/h7-8,16,19-23,27-29H,5-6,9-15H2,1-4H3/b17-7-,18-8+/t16-,19+,20-,21+,22+,23-,25+/m0/s1

SMILES (Click to copy)

C1(/CCC[C@]2(C)[C@@]([H])([C@]([H])(C)OCCC(O)(C)C)CC[C@@]/12[H])=C/C=C1\C[C@@H](O)[C@@H](F)[C@H](O)C\1