(3α,5β,7α,22S)-3,7,22-Trihydroxycholan-24-oic acid
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(3α,5β,7α,22S)-3,7,22-Trihydroxycholan-24-oic acid
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CAS No:
14959-83-2
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Formula:
C24H40O5
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Chemical Name:
(3α,5β,7α,22S)-3,7,22-Trihydroxycholan-24-oic acid
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Synonyms:
Cholan-24-oic acid,3,7,22-trihydroxy-,(3α,5β,7α,22S)-;5β-Cholan-24-oic acid,3α,7α,22β-trihydroxy-;(3α,5β,7α,22S)-3,7,22-Trihydroxycholan-24-oic acid;Haemulcholic acid;11029-67-7
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CAS No:
Computed Properties
Molecular Weight:408.6
XLogP3:3.9
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:408.28757437
Monoisotopic Mass:408.28757437
Topological Polar Surface Area:98
Heavy Atom Count:29
Complexity:637
Defined Atom Stereocenter Count:10
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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