12-(Acetyloxy)-3,6-dihydroxy-7-oxocholan-24-oic acid methyl ester
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12-(Acetyloxy)-3,6-dihydroxy-7-oxocholan-24-oic acid methyl ester
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CAS No:
133181-56-3
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Formula:
C27H42O7
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Chemical Name:
12-(Acetyloxy)-3,6-dihydroxy-7-oxocholan-24-oic acid methyl ester
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Synonyms:
Methyl (20R)-12-acetoxy-3,6-dihydroxy-7-oxocholan-24-oate
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CAS No:
12-(Acetyloxy)-3,6-dihydroxy-7-oxocholan-24-oic acid methyl ester Basic Attributes
478.61818
478.29300
Computed Properties
Molecular Weight:478.6
XLogP3:3.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:478.29305367
Monoisotopic Mass:478.29305367
Topological Polar Surface Area:110
Heavy Atom Count:34
Complexity:826
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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12-(Acetyloxy)-3,6-dihydroxy-7-oxocholan-24-oic acid methyl ester
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