Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMST01010365
Common NameZymostenol-d7
Systematic Name5α-cholest-8-en-3β-ol-d7
Synonyms5α-cholest-8(9)-en-3β-ol-d7
Exact Mass
393.3988 (neutral)    Calculate m/z:
FormulaC27H39D7O
CategorySterol Lipids [ST]
Main ClassSterols [ST01]
Sub ClassCholesterol and derivatives [ST0101]
PubChem CID70699279
InChIKeyQETLKNDKQOXZRP-HJSPSJIWSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-21,23-24,28H,6-17H2,1-5H3/t19-,20+,21+,23-,24+,26+,27-/m1/s1/i1D3,2D3,18D
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SMILES
C1[C@]2(C)C3CC[C@]4(C)[C@@]([H])([C@]([H])(C)CCCC(C([2H])([2H])[2H])(C([2H])([2H])[2H])[2H])CC[C@@]4([H])C=3CC[C@@]2([H])C[C@@H](O)C1
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StatusActive (Isotopically labelled standard)
CommentsSynthetic deuterated standard