Structure database (LMSD)

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LM IDLMST01010148
Common Name24,25-epoxy-cholesterol(d6)
Systematic Name24,25-epoxy-cholest-5-en-3β-ol(d6)
Synonyms-
Exact Mass
406.3712 (neutral)    Calculate m/z:
FormulaC27H38D6O2
CategorySterol Lipids [ST]
Main ClassSterols [ST01]
Sub ClassCholesterol and derivatives [ST0101]
PubChem CID9547207
InChIKeyOSENKJZWYQXHBN-LRCQYHTQSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C27H44O2/c1-17(6-11-24-25(2,3)29-24)21-9-10-22-20-8-7-18-16-19(28)12-14-26(18,4)23(20)13-15-27(21,22)5/h7,17,19-24,28H,6,8-16H2,1-5H3/t17-,19+,20+,21-,22+,23+,24?,26+,27-/m1/s1/i2D3,3D3
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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])CCC3OC3(C([2H])([2H])[2H])C([2H])([2H])[2H])CC[C@@]21[H])[H]
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StatusActive (Isotopically labelled standard)
CommentsSynthetic deuterated standard