Structure database (LMSD)
Return to Databases Overview

MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

LM ID	LMST01010003
Common Name	4β-hydroxy-cholesterol(d7)
Systematic Name	cholest-5-en-3β,4β-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	3247052
CAYMAN ID	25971
InChIKey	CZDKQKOAHAICSF-BZNWTYAPSA-N Show lipids differing only in stereochemistry/bond geometry
InChI	InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(29)24(28)14-16-27(23,5)22(19)13-15-26(20,21)4/h10,17-22,24-25,28-29H,6-9,11-16H2,1-5H3/t18-,19+,20-,21+,22+,24+,25-,26-,27-/m1/s1/i1D3,2D3,17D Click to highlight InChI
SMILES	[C@]12(CC=C3[C@@H](O)[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] Click to highlight SMILES
Status	Active (Isotopically labelled standard)
Comments	Synthetic deuterated standard

Structure database (LMSD)Return to Databases Overview