LIPID MAPS

Structure Database (LMSD)

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Common Name

1alpha,25-dihydroxy-23-oxavitamin D3

Systematic Name

(5Z,7E)-(1S,3R)-23-oxa-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol

Synonyms

1alpha,25-dihydroxy-23-oxacholecalciferol

LM ID

LMST03020063

Formula

C₂₆H₄₂O₄

Exact Mass

Calculate m/z

418.30831

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

BLWGJQZULCEFMA-ZPURXJTESA-N

InChi (Click to copy)

InChI=1S/C26H42O4/c1-17(15-30-16-25(3,4)29)22-10-11-23-19(7-6-12-26(22,23)5)8-9-20-13-21(27)14-24(28)18(20)2/h8-9,17,21-24,27-29H,2,6-7,10-16H2,1,3-5H3/b19-8+,20-9-/t17-,21-,22-,23+,24+,26-/m1/s1

SMILES (Click to copy)

[C@@H]1(O)C(=C)/C(=C\C=C2\[C@]3([H])CC[C@@]([C@@](C)([H])COCC(O)(C)C)([H])[C@@]3(C)CCC\2)/C[C@@H](O)C1

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

synthetic construct (#32630)

Synthetic studies of vitamin D analogues. IX. Synthesis and differentiation-inducing activity of 1 alpha,25-dihydroxy-23-oxa-, thia-, and azavitamin D3.,
Chem Pharm Bull (Tokyo), 1991

Pubmed ID: 1814615