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4β-Hydroxycholesterol-[d7]

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Category	Cholesterol
Catalog NO.	BPG-3156
Product Name	4β-Hydroxycholesterol-[d7]
CAS	1246302-80-6
Molecular Formula	C27H39D7O2
Molecular Weight	409.70

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Description	4β-Hydroxycholesterol-[d7] is a labelled analog of 4β-Hydroxycholesterol, which is a metabolite of Cholesterol.
Synonyms	(3β,4β)-Cholest-5-ene-3,4-diol-d7; Cholest-5-ene-3β,4β-diol-d7; 3β,4β-Dihydroxycholest-5-ene-d7; cis-3,4-Dihydroxy-5-cholestene-d7; cis-5-Cholestene-3,4-diol-d7; d7-4beta-hydroxycholesterol
IUPAC Name	(3S,4R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6,7,7,7-tetradeuterio-6-(trideuteriomethyl)heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,4-diol
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/i1D3,2D3,17D
InChIKey	CZDKQKOAHAICSF-BZNWTYAPSA-N
Melting Point	154-159°C
Purity	97% by CP; 98% atom D
Solubility	Soluble in Chloroform, Ethyl Acetate, Methanol
Related CAS	17320-10-4 (unlabelled)
Appearance	White to Off-white Solid
Shelf Life	1 Year
Storage	Store at -20°C
Exact Mass	409.394
Hygroscopic	No
Light Sensitive	No
Percent Composition	C 79.15%, H 13.04%, O 7.81%

References

1. Tahara H, Watanabe M, Hasegawa M. A comparative study for detecting CYP3A induction by CYP3A probe drugs and endogenous markers in cynomolgus monkeys. Biopharm Drug Dispos. 2019 Feb;40(2):81-93. doi: 10.1002/bdd.2173. PubMed ID: 30724384.

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