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809-51-8

809-51-8 Structure

809-51-8 Structure
IdentificationBack Directory
[Name]

7-oxocholest-5-en-3-beta-yl acetate
[CAS]

809-51-8
[Synonyms]

NSC 59469
7-Oxocholesterol acetate
7-Oxocholesteryl Acetate
7-Ketocholesteryl Acetate
7-oxocholest-5-en-3-beta-yl
7-Oxo Cholesterol 3-Acetate
3β-Acetoxy-5-cholesten-7-one
3β-Acetoxycholest-5-en-7-one
3β-Acetoxycholest-5-en-7-one
7-Oxocholest-5-en-3β-yl Acetate
7-Oxocholest-5-en-3β-ol acetate
3β-(Acetyloxy)cholest-5-en-7-one
7-oxocholest-5-en-3-β-yl acetate
7-oxocholest-5-en-3-beta-yl acetate
(3β)-3-(Acetyloxy)cholest-5-en-7-one
3β-Hydroxy-cholest-5-en-7-one Acetate
Cholest-5-en-7-one, 3-(acetyloxy)-, (3b)-
Cholest-5-en-7-one, 3-(acetyloxy)-, (3β)-
(3S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-((R)-6-methylheptan-2-yl)-7-oxo-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate
[EINECS(EC#)]

212-368-1
[Molecular Formula]

C29H46O3
[MOL File]

809-51-8.mol
[Molecular Weight]

442.674
Chemical PropertiesBack Directory
[Melting point ]

157-158 °C
[Boiling point ]

526.9±39.0 °C(Predicted)
[density ]

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

Refrigerator
[solubility ]

Chloroform (Slightly), DMSO (Slightly, Sonicated), Methanol (Slightly, Heated)
[form ]

Solid
[color ]

White to Light Yellow
[InChIKey]

PMBSWZWCNKVWLV-MTSWCIIENA-N
[SMILES]

O=C1C=C2C[C@@H](OC(=O)C)CC[C@]2(C)[C@@]2([H])CC[C@@]3([C@@]([H])([C@H](C)CCCC(C)C)CC[C@@]3([H])[C@]12[H])C |&1:5,12,14,18,19,21,31,33,r|
Hazard InformationBack Directory
[Chemical Properties]

White Solid
[Uses]

Intermediate in the preparation of various Cholesterol derivatives and metabolites.
Spectrum DetailBack Directory
[Spectrum Detail]

7-oxocholest-5-en-3-beta-yl acetate(809-51-8)MS
7-oxocholest-5-en-3-beta-yl acetate(809-51-8)IR1
7-oxocholest-5-en-3-beta-yl acetate(809-51-8)IR2
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