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3862-25-7

3862-25-7 Structure

3862-25-7 Structure
IdentificationBack Directory
[Name]

(7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
[CAS]

3862-25-7
[Synonyms]

7HCO
alpha-HC
7α-hydroxycholestenone
7a-Hydroxy-cholestene-3-one
7-Hydroxy-4-cholesten-3-one
7a-Hydroxy-4-cholesten-3-one
7a-Hydroxycholest-4-en-3-one
(7a)-7-Hydroxycholest-4-en-3-one
7alpha-hydroxycholest-4-en-3-one
7 alpha-hydroxy-4-cholesten-3-one
(7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
(7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-10,13-diMethyl-17-((R)-6-Methylheptan-2-yl)-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one
[Molecular Formula]

C27H44O2
[MDL Number]

MFCD00870345
[MOL File]

3862-25-7.mol
[Molecular Weight]

400.64
Chemical PropertiesBack Directory
[Appearance]

White Solid
[Melting point ]

182-184°C
[Boiling point ]

516.7±29.0 °C(Predicted)
[density ]

1.03±0.1 g/cm3(Predicted)
[storage temp. ]

-20°C Freezer
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

14.49±0.70(Predicted)
[color ]

White to Off-White
Hazard InformationBack Directory
[Chemical Properties]

White Solid
[Uses]

7α-Hydroxy-4-cholesten-3-one is a metabolite of Cholesterol (C432501).
[Definition]

ChEBI: A cholestanoid consisting of a cholesterol core having an oxo group at the 3-position, a C2C bond at the 4,5-position and an alpha-hydroxy group at the 7-position.
[Description]

7α-hydroxy-4-Cholesten-3-one is a metabolite of 7α-hydroxy cholesterol and an intermediate in the biosynthesis of bile acids. Plasma levels of 7α-hydroxy-4-cholesten-3-one positively correlate with the rate of bile acid synthesis in humans and are increased in patients following ileal resection.
[References]

[1] RUSSELL D W. The enzymes, regulation, and genetics of bile acid synthesis.[J]. Annual review of biochemistry, 2003, 72: 137-174. DOI: 10.1146/annurev.biochem.72.121801.161712
[2] M. AXELSON  J. S  A Aly. Levels of 7α-hydroxy-4-cholesten-3-one in plasma reflect rates of bile acid synthesis in man[J]. FEBS Letters, 1988, 239 2: Pages 324-328. DOI: 10.1016/0014-5793(88)80944-x
Spectrum DetailBack Directory
[Spectrum Detail]

(7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one(3862-25-7)1HNMR
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