Structure database (LMSD)

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LM IDLMST01010092
Common Name24-hydroxy-cholesterol(d6)
Systematic Namecholest-5-en-3β,24-diol(d6)
Synonyms-
Exact Mass
408.3868 (neutral)    Calculate m/z:
FormulaC27H40D6O2
CategorySterol Lipids [ST]
Main ClassSterols [ST01]
Sub ClassCholesterol and derivatives [ST0101]
PubChem CID9547208
CHEBI ID50515
InChIKeyIOWMKBFJCNLRTC-IKUYBNIBSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C27H46O2/c1-17(2)25(29)11-6-18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20+,21+,22-,23+,24+,25?,26+,27-/m1/s1/i1D3,2D3
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SMILES
[C@]12(CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@@](C)([H])CCC(O)C(C([2H])([2H])[2H])C([2H])([2H])[2H])CC[C@@]21[H])[H]
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StatusActive (Isotopically labelled standard)
CommentsSynthetic deuterated standard