methyl 12alpha-hydroxy-3-oxo-5beta-cholan-24-oate

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Names

[ CAS No. ]:
10538-58-6

[ Name ]:
methyl 12alpha-hydroxy-3-oxo-5beta-cholan-24-oate

[Synonym ]:
methyl 12-thiatridecanoate
11-methylsulfanyl-undecanoic acid methyl ester
Methyl 3-Oxo-desoxycholate
3-oxo deoxycholic acid methyl ester
12-thiatridecanoic acid methyl ester
11-Methylmercapto-undecansaeure-methylester

Chemical & Physical Properties

[ Density]:
1.085g/cm3

[ Boiling Point ]:
505.7ºC at 760mmHg

[ Melting Point ]:
138-141°C

[ Molecular Formula ]:
C25H40O4

[ Molecular Weight ]:
404.58300

[ Flash Point ]:
162.2ºC

[ Exact Mass ]:
404.29300

[ PSA ]:
63.60000

[ LogP ]:
4.77450

[ Vapour Pressure ]:
2.3E-06mmHg at 25°C

[ Index of Refraction ]:
1.495

[ Storage condition ]:
2-8°C

Precursor & DownStream

Precursor

DownStream

  • Cholan-24-oic acid,3,12-dihydroxy-, methyl ester, (3a,5b,12a)-
  • (1β,3α,5β,12α)-1,3,12-Trihydroxycholan-24-oic acid

Related Compounds

  • methyl 7alpha,12alpha-dihydroxy-3-oxo-5beta-cholan-24-oate
  • methyl 3alpha-[(ethoxycarbonyl)oxy]-12alpha-hydroxy-5beta-cholan-24-oate
  • 3-​Oxocholic acid
  • 3-Oxo-12α-hydroxy-5β-cholanoic Acid
  • (12α)-12-Hydroxyabieta-7,13-dien-18-oic acid
  • (5R,8R,9S,10S,12S,13R,14S,17S)-17-acetyl-12-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
  • 2-(Aminomethyl)-5-cyclopropoxybenzenesulfonamide
  • (4-Cyclopropoxy-2-(methylthio)phenyl)methanamine
  • (2-Cyclopropoxy-4-(methylthio)phenyl)methanamine
  • (4-Bromo-2-cyclopropoxyphenyl)methanamine
  • 3-(Butan-2-ylidene)pyrrolidine
  • 1-(4-Hydroxycyclohexyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
  • Methoxetamine-d5
  • (4-Chloro-2-cyclopropoxyphenyl)methanamine
  • 1-{1-Azabicyclo[2.2.2]octan-3-yl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid
  • 3-(Aminomethyl)-2-cyclopropoxy-N,N-dimethylbenzamide
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