Structure database (LMSD)
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MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

LM ID	LMST01010145
Common Name	22S-hydroxycholesterol(d7)
Systematic Name	cholest-5-en-3β,22S-diol(d7)
Synonyms	-
Exact Mass	409.3930 (neutral) Calculate m/z:
Formula	C₂₇H₃₉D₇O₂
Category	Sterol Lipids [ST]
Main Class	Sterols [ST01]
Sub Class	Cholesterol and derivatives [ST0101]
PubChem CID	42608392
CHEBI ID	1301
InChIKey	RZPAXNJLEKLXNO-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 Click to highlight InChI
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] Click to highlight SMILES
Status	Active (Isotopically labelled standard)
Comments	Synthetic deuterated standard

Structure database (LMSD)Return to Databases Overview