Structure database (LMSD)

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LM IDLMST01010145
Common Name22S-hydroxycholesterol(d7)
Systematic Namecholest-5-en-3β,22S-diol(d7)
Synonyms-
Exact Mass
409.3930 (neutral)    Calculate m/z:
FormulaC27H39D7O2
CategorySterol Lipids [ST]
Main ClassSterols [ST01]
Sub ClassCholesterol and derivatives [ST0101]
PubChem CID42608392
CHEBI ID1301
InChIKeyRZPAXNJLEKLXNO-YLVVCUGSSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C27H46O2/c1-17(2)6-11-25(29)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+/m0/s1/i1D3,2D3,17D
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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])[C@@H](O)CCC([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])CC[C@@]21[H])[H]
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StatusActive (Isotopically labelled standard)
CommentsSynthetic deuterated standard