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6-keto-5alpha-hydroxycholesterol

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Category	Oxysterols
Catalog NO.	BPG-3307
Product Name	6-keto-5alpha-hydroxycholesterol
CAS	13027-33-3
Molecular Formula	C27H46O3
Molecular Weight	418.65

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Description	6-keto-5alpha-hydroxycholesterol represents a pivotal step in the intricate pathway of bile acid and steroid hormone production, serving as a vital biomarker in the clinical diagnosis of Smith-Lemli-Opitz syndrome, a genetic anomaly adversely impacting cholesterol homeostasis.
Synonyms	3b,5a-dihydroxy-cholestan-6-one; cholestan-6-oxo-3,5-diol
IUPAC Name	(3S,5R,8S,9S,10R,13R,14S,17R)-3,5-dihydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-one
Canonical SMILES	CC(C)CCCC(C)C1CCC2C1(CCC3C2CC(=O)C4(C3(CCC(C4)O)C)O)C
InChI	InChI=1S/C27H46O3/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(29)27(30)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-23,28,30H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,25-,26-,27+/m1/s1
InChIKey	SJZZRXMQSAXCFD-ZCBMJONGSA-N
Boiling Point	528.9°C at 760mmHg
Purity	95%
Density	1.061 g/cm3
Appearance	Powder
Shelf Life	1 Year
Storage	Store at -20°C
Exact Mass	418.345
Hygroscopic	No
Light Sensitive	No
Percent Composition	C 77.46%, H 11.07%, O 11.46%

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