3-ALPHA-HYDROXY-6-KETOCHOLANICACID
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3-ALPHA-HYDROXY-6-KETOCHOLANICACID
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CAS No:
2393-61-5
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Formula:
C24H38O4
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Chemical Name:
3-ALPHA-HYDROXY-6-KETOCHOLANICACID
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Synonyms:
6-OXOLITHOCHOLICACID;6-KETOLITHOCHOLICACID;5B-cholanicacid-3A-ol-6-one;3α-Hydroxy-6-ketocholanicacid;3-ALPHA-HYDROXY-6-KETOCHOLANICACID;5-BETA-CHOLANICACID-3-ALPHA-OL-6-ONE;5,betaalpha-cholanicacid-3alphaalpha-ol-6-one;3-ALPHA-HYDROXY-6-OXO-5-BETA-CHOLAN-24-OICACID;(4R)-4-[(3R,5R,8S,9S,10R,13R,14S,17R)-3-hydroxy-6-keto-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]valericacid;(4R)-4-[(3R,5R,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-6-oxo-1,2,
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CAS No:
Safety Information
36/37/38
22-26-36
Xi
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-ALPHA-HYDROXY-6-KETOCHOLANICACID Use and Manufacturing
Lipids -> Sterol Lipids [ST] -> Bile acids and derivatives [ST04] -> C24 bile acids, alcohols, and derivatives [ST0401]
Computed Properties
Molecular Weight:390.6
XLogP3:4.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:390.27700969
Monoisotopic Mass:390.27700969
Topological Polar Surface Area:74.6
Heavy Atom Count:28
Complexity:645
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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