methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate

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Names

[ CAS No. ]:
10538-64-4

[ Name ]:
methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate

[Synonym ]:
5beta-Cholan-24-oic acid,3alpha,7alpha-dihydroxy-12-oxo-,methyl ester
Methyl 3alpha,7alpha-dihydroxy-12-oxo-5beta-Cholan-24-oate

Chemical & Physical Properties

[ Molecular Formula ]:
C25H40O5

[ Molecular Weight ]:
420.58200

[ Exact Mass ]:
420.28800

[ PSA ]:
83.83000

[ LogP ]:
3.74530

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • methyl 4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoate
  • Methyl Cholate
  • (3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-17-((R)-5-methoxy-5-oxopentan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl dodecanoate
  • cholic acid
  • methyl 3-alpha,7-alpha-diacetoxy-12-oxo-5-beta-cholan-24-oate
  • methyl 3-alpha,7-alpha-diacetoxy-12-alpha-hydroxy-5-beta-cholan-24-oate
  • diazomethane
  • (3R,5S,7R,8R,9S,10S,13R,14S,17R)-7-acetoxy-17-((R)-5-methoxy-5-oxopentan-2-yl)-10,13-dimethyl-12-oxohexadecahydro-1H-cyclopenta[a]phenanthren-3-yl dodecanoate
  • 3α,7α-dihydroxy-12-oxo-5β-cholanic acid

DownStream

  • Chenodiol methyl ester

Related Compounds

  • O-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropyl]hydroxylamine
  • 2-(4-Methyloxan-4-yl)propan-1-amine
  • {1-[(2,5-Difluoro-4-methylphenyl)methyl]cyclopropyl}methanamine
  • 4-(3-Methyl-4-nitrophenyl)butanoic acid
  • 2-(6-Chloro-5-methylpyridin-3-yl)butanoic acid
  • Tert-butyl (2-aminoethyl)(3-hydroxypropyl)carbamate
  • Methyl 2-hydroxy-2-[1-(2-methylpyridin-3-yl)cyclopropyl]acetate
  • 4-(Bromomethyl)-4-(2-methoxypropyl)cyclopent-1-ene
  • tert-butyl N-[4-fluoro-3-(isocyanatomethyl)phenyl]carbamate
  • {1-[(3-Ethoxyphenyl)methyl]cyclopropyl}methanamine
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