(3α,5β,7α,23R)-3,7,23-Trihydroxycholan-24-oic acid
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(3α,5β,7α,23R)-3,7,23-Trihydroxycholan-24-oic acid
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CAS No:
105369-89-9
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Formula:
C24H40O5
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Chemical Name:
(3α,5β,7α,23R)-3,7,23-Trihydroxycholan-24-oic acid
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Synonyms:
Cholan-24-oic acid,3,7,23-trihydroxy-,(3α,5β,7α,23R)-;(3α,5β,7α,23R)-3,7,23-Trihydroxycholan-24-oic acid;β-Phocaecholic acid;(23R)-Hydroxychenodeoxycholic acid;2461-09-8
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CAS No:
(3α,5β,7α,23R)-3,7,23-Trihydroxycholan-24-oic acid Use and Manufacturing
Lipids -> Sterol Lipids [ST] -> Bile acids and derivatives [ST04] -> C24 bile acids, alcohols, and derivatives [ST0401]
Computed Properties
Molecular Weight:408.6
XLogP3:4.4
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:11
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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