3,6-Dioxo-5β-24-cholanoicacidmethylester
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3,6-Dioxo-5β-24-cholanoicacidmethylester
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CAS No:
1175-04-8
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Formula:
C25H38O4
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Chemical Name:
3,6-Dioxo-5β-24-cholanoicacidmethylester
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Synonyms:
SCHEMBL5919527;methyl 3,6-dioxo-5beta-cholan-24-oate;3,6-Dioxo-5beta-24-cholanoic acid methyl ester;methyl (4R)-4-((5R,8S,9S,10R,13R,17R)-10,13-dimethyl-3,6-dioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate;methyl (4R)-4-[(5R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,6-dioxo-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
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CAS No:
Computed Properties
Molecular Weight:402.6
XLogP3:4.5
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:402.27700969
Monoisotopic Mass:402.27700969
Topological Polar Surface Area:60.4
Heavy Atom Count:29
Complexity:699
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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