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4β-Hydroxycholesterol-[d4]

General Information
Catalog: BLP-002938
CAS: 1363529-44-5
Molecular Formula: C27H42D4O2
Molecular Weight: 406.70
Chemical Structure
4β-Hydroxycholesterol-[d4]
Description 4β-Hydroxycholesterol-[d4] is the labelled analogue of 4-beta-Hydroxy Cholesterol, which is a metabolite of Cholesterol. It is formed from Cholesterol by the drug-metabolizing enzyme cytochrome P 450 3A4. It is also a potential ligand for the nuclear receptor LXR and also a new endogenous CYP3A marker.
Synonyms 4β-Hydroxycholesterol D4; 4-beta-Hydroxycholesterol-d4
IUPAC Name (3S,4R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6,7,7,7-tetradeuterio-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,4-diol
Related CAS 17320-10-4 (unlabelled)
Canonical SMILES CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4O)O)C)C
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/i1D3,17D/t17?,18-,19+,20-,21+,22+,24+,25-,26-,27-
InChI Key CZDKQKOAHAICSF-LIDHSRKFSA-N
Solubility Soluble in DMSO, In chloroform
Appearance White to Off-white Solid
Storage 2-8 °C under inert atmosphere

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