Structure database (LMSD)

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LM IDLMST01010007
Common Name6α-hydroxycholestanol(d7)
Systematic Namecholestan-3β,6α-diol(d7)
Synonyms-
Exact Mass
411.4087 (neutral)    Calculate m/z:
FormulaC27H41D7O2
CategorySterol Lipids [ST]
Main ClassSterols [ST01]
Sub ClassCholesterol and derivatives [ST0101]
PubChem CID3247056
InChIKeyPMWTYEQRXYIMND-DNWVLYPESA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C27H48O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h17-25,28-29H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24-,25+,26-,27-/m1/s1/i1D3,2D3,17D
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SMILES
[C@]12(C[C@H](O)[C@@]3([H])C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@@](C)([H])CCCC(C([2H])([2H])[2H])(C([2H])([2H])[2H])[2H])CC[C@@]21[H])[H]
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StatusActive (Isotopically labelled standard)
CommentsSynthetic deuterated standard