12α-Hydroxy-3-oxo-4,6-choladien-24-oic acid
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12α-Hydroxy-3-oxo-4,6-choladien-24-oic acid
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CAS No:
13535-96-1
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Formula:
C24H34O4
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Chemical Name:
12α-Hydroxy-3-oxo-4,6-choladien-24-oic acid
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Synonyms:
Chola-4,6-dien-24-oic acid,12-hydroxy-3-oxo-,(12α)-;Chola-4,6-dienic acid,12α-hydroxy-3-oxo-;(12α)-12-Hydroxy-3-oxochola-4,6-dien-24-oic acid;12α-Hydroxy-3-oxochola-4,6-dienic acid;12α-Hydroxy-3-oxo-4,6-choladien-24-oic acid;101799-27-3
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CAS No:
Description
12alpha-hydroxy-3-oxochola-4,6-dien-24-oic acid is a 3-oxo Delta(4)-steroid that is 3-oxochola-4,6-dien-24-oic acid carrying an additional hydroxy group at the 12alpha-position. It is a 3-oxo-Delta(4) steroid and a 12alpha-hydroxy steroid. It derives from a chola-4,6-dien-24-oic acid. It is a conjugate acid of a 12alpha-hydroxy-3-oxochola-4,6-dien-24-oate.
Characteristics
74.6 Ų
1.18±0.1 g/cm3
252-254 °C @ Solvent: Ethanol
580.4±50.0 °C(Predicted)
4.76±0.10
12α-Hydroxy-3-oxo-4,6-choladien-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:386.5
XLogP3:3.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:386.24570956
Monoisotopic Mass:386.24570956
Topological Polar Surface Area:74.6
Heavy Atom Count:28
Complexity:737
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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