5β-Cholanic acid
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5β-Cholanic acid
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CAS No:
546-18-9
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Formula:
C24H40O2
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Chemical Name:
5β-Cholanic acid
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Synonyms:
Cholan-24-oic acid,(5β)-;5β-Cholan-24-oic acid;5β-Cholanic acid;(5β)-Cholan-24-oic acid;5β-Cholanoic acid;Ursocholanic acid;L 596205-0;Androstane-17-butanoic acid,γ-methyl-,(5β,17β)-;Cholanoic acid;NSC 18161
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CAS No:
Characteristics
37.30000
8.75
1.0±0.1 g/cm3
150 °C
473.6±13.0 °C at 760 mmHg
208.7±11.2 °C
1.514
169.3 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]
5β-Cholanic acid Use and Manufacturing
Lipids -> Sterol Lipids [ST] -> Bile acids and derivatives [ST04] -> C24 bile acids, alcohols, and derivatives [ST0401]
Computed Properties
Molecular Weight:360.6
XLogP3:8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:360.302830514
Monoisotopic Mass:360.302830514
Topological Polar Surface Area:37.3
Heavy Atom Count:26
Complexity:542
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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