22-Dehydro25-HydroxyCholesterol3-Acetate
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22-Dehydro25-HydroxyCholesterol3-Acetate
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CAS No:
157171-88-5
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Formula:
C29H46O3
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Chemical Name:
22-Dehydro25-HydroxyCholesterol3-Acetate
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Synonyms:
22-Dehydro 25-Hydroxy Cholesterol 3-Acetate;[(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R)-6-hydroxy-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate;Cholesta-5,22-diene-3,25-diol, 3-acetate, (3β,22E)- (9CI)
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CAS No:
Computed Properties
Molecular Weight:442.7
XLogP3:6.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:442.34469533
Monoisotopic Mass:442.34469533
Topological Polar Surface Area:46.5
Heavy Atom Count:32
Complexity:779
Defined Atom Stereocenter Count:8
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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