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Cholic Acid

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Cholic Acid / CAS : 81-25-4

Appearance White to grayish white crystalline powder UN 1230
HS 29181900 DG Class 3
Synonyms 3,7,12-Trihydroxycholanic Acid; 3A,7A,12A-Trihydroxy-5B-Cholan-24-Oic Acid; 3Alpha,7Alpha,12Alpha-Trihydroxy-5Beta-Cholan-24-Ic Acid 3Alpha,7Alpha,12Alpha-Trihydroxy-5Beta-Cholan-24-Oic Acid; 3Alpha, 7Alpha, 12Alpha-Trihydroxy-5Beta-Cholanic Acid
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Properties

Summary

Formula
C24H40O5
Molecular Mass
408.57100
Exact Mass
408.28800
PSA
97.99000
Logp
3.44870
IUPAC
(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
SMILES
CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Intermediates
Plant and Other Extracts > Animal Extract
API & Intermediate > Digestive System Drugs

Chemical and Physical Properties

Melting Point
200-201 °C
Density
1.184g/cm3
Boiling Point
545ºC
Flash Point
321ºC
Appearance
White to grayish white crystalline powder
Acidity and Basicity
acidness

Export information

HS Code
29181900
Export Rebate
13%
UN No.
1230
DG-Class
3
Risk Code
R36/37/38
Safety Label
Xi

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