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3α,7α,12α-Trihydroxy-5β-cholan-24-oic acid methyl ester

methyl cholate

CAS: 1448-36-8

Molecular Formula: C25H42O5

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3α,7α,12α-Trihydroxy-5β-cholan-24-oic acid methyl ester - Names and Identifiers

Name methyl cholate
Synonyms methyl cholate
METHYL CHOLATE
Cholic acid methyl ester
CHOLIC ACID METHYL ESTER(P)
methyl 3,7,12-trihydroxycholan-24-oate
3α,7α,12α-Trihydroxy-5β-cholan-24-oic acid methyl ester
methyl (3alpha,5beta,12alpha)-3,7,12-trihydroxycholan-24-oate
5(BETA)-CHOLAMIC ACID-3ALPHA,7ALPHA,12ALPHA-TRIOL METHYL ESTER
5-BETA-CHOLANIC ACID-3-ALPHA, 7-ALPHA, 12-ALPHA-TRIOL METHYL ESTER
methyl (3beta,5alpha,7beta,12alpha,17alpha,20S)-3,7,12-trihydroxycholan-24-oate
Methyl 4-(3,7,12-trihydroxy-10,13-dimethylperhydrocyclopenta[a]phenanthren-17-yl)pen
METHYL 4-(3,7,12-TRIHYDROXY-10,13-DIMETHYLPERHYDROCYCLOPENTA[A]PHENANTHREN-17-YL)PENTANOATE
methyl 4-[(3R,7R,10S,12S,13R,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]pentanoate
methyl 4-[(3R,5S,7R,10S,12S,13R,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]pentanoate
CAS 1448-36-8
EINECS 215-903-7
InChI InChI=1/C25H42O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-21,23,26-28H,5-13H2,1-4H3/t14?,15-,16+,17+,18?,19?,20+,21-,23?,24-,25+/m0/s1

3α,7α,12α-Trihydroxy-5β-cholan-24-oic acid methyl ester - Physico-chemical Properties

Molecular FormulaC25H42O5
Molar Mass422.6
Density1.141±0.06 g/cm3(Predicted)
Melting Point155-156°C
Boling Point541.6±50.0 °C(Predicted)
Flash Point174.9°C
Water SolubilityInsoluble in water. Soluble in medium polarity organic solvents.
Solubility Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly), Methanol (Slig
Vapor Presure5.49E-14mmHg at 25°C
AppearanceSolid
ColorWhite to Off-White
Merck14,2203
BRN2226989
pKa14?+-.0.70(Predicted)
Storage ConditionSealed in dry,Room Temperature
Refractive Index1.539
MDLMFCD00064934

3α,7α,12α-Trihydroxy-5β-cholan-24-oic acid methyl ester - Risk and Safety

Hazard SymbolsXi - Irritant
Irritant
Safety DescriptionS22 - Do not breathe dust.
S24/25 - Avoid contact with skin and eyes.

3α,7α,12α-Trihydroxy-5β-cholan-24-oic acid methyl ester - Reference Information

Biological activity Methyl Cholate is the methyl ester form of cholic acid. Cholic acid is one of the main bile acids produced by the liver and is synthesized from cholesterol.
Last Update:2024-04-09 20:52:54
3α,7α,12α-Trihydroxy-5β-cholan-24-oic acid methyl ester
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View History
3α,7α,12α-Trihydroxy-5β-cholan-24-oic acid methyl ester
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