LIPID MAPS

Structure Database (LMSD)

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Common Name

(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitamin D3

Systematic Name

(5Z,7E)-(1S,3R,20R,24S)-22-oxa-9,10-seco-5,7,10(19)-cholestatriene-1,3,24-triol

Synonyms

(24S)-1alpha,24-dihydroxy-22-oxa-20-epicholecalciferol

LM ID

LMST03020059

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)

QBLPQGCPHVNTFS-HNDNRCAWSA-N

InChi (Click to copy)

InChI=1S/C26H42O4/c1-16(2)25(29)15-30-18(4)22-10-11-23-19(7-6-12-26(22,23)5)8-9-20-13-21(27)14-24(28)17(20)3/h8-9,16,18,21-25,27-29H,3,6-7,10-15H2,1-2,4-5H3/b19-8+,20-9-/t18-,21-,22-,23+,24+,25-,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])OC[C@@H](O)C(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. XVII. Synthesis and differentiation-inducing activity of 1 alpha,24-dihydroxy-22-oxavitamin D3 analogues and their 20(R)-epimers.,
Chem Pharm Bull (Tokyo), 1993

Pubmed ID: 8221979