Structure database (LMSD)

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LM IDLMST03020038
Common Name(24S,25R)-25,26-epoxy-1α,24-dihydroxy-27-norvitamin D3 / (24S,25R)-25,26-epoxy-
1α,24-dihydroxy-27-norcholecalciferol
Systematic Name(5Z,7E)-(1S,3R,24S,25R)-25,26-epoxy-27-nor-9,10-seco-5,7,10(19)-cholestatriene-
1,3,24-triol
Synonyms-
Exact Mass
416.2927 (neutral)    Calculate m/z:
FormulaC26H40O4
CategorySterol Lipids [ST]
Main ClassSecosteroids [ST03]
Sub ClassVitamin D3 and derivatives [ST0302]
LIPIDBANK IDVVD0040
PubChem CID9547298
InChIKeyCKMUTKJMMMBQHA-ASSMWGRUSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C26H40O4/c1-16(6-11-23(28)25-15-30-25)21-9-10-22-18(5-4-12-26(21,22)3)7
-8-19-13-20(27)14-24(29)17(19)2/h7-8,16,20-25,27-29H,2,4-6,9-15H2,1,3H3/b18-7+,1
9-8-/t16-,20-,21-,22+,23+,24+,25?,26-/m1/s1
SMILES-
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms30Rings4Aromatic Rings0Rotatable Bonds6
 van der Waals
Molecular Volume
436.16Topological Polar
Surface Area
73.22Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
4
 logP5.73Molar
Refractivity
121.41