Methyl deoxycholate
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Methyl deoxycholate
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CAS No:
3245-38-3
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Formula:
C25H42O4
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Chemical Name:
Methyl deoxycholate
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Synonyms:
Cholan-24-oic acid,3,12-dihydroxy-,methyl ester,(3α,5β,12α)-;5β-Cholan-24-oic acid,3α,12α-dihydroxy-,methyl ester;Deoxycholic acid,methyl ester;Desoxycholic acid,methyl ester;Methyl 3α,12α-dihydroxy-5β-cholanoate;Methyl deoxycholate;Methyl 3α,12α-dihydroxy-5β-cholan-24-oate;Methyl 7-deoxycholate;NSC 22957
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CAS No:
Computed Properties
Molecular Weight:406.6
XLogP3:5.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:406.30830982
Monoisotopic Mass:406.30830982
Topological Polar Surface Area:66.8
Heavy Atom Count:29
Complexity:620
Undefined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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