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Home > Encyclopedia > [(3S,5R,6R,8S,9S,10R,13S,14S,17R)-17-[(2S,3R)-3,5-dihydroxy-5,6-dimethylheptan-2-yl]-3,5-dihydroxy-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-yl] acetate

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

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

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

structure
  • CAS No:

    96736-31-1

  • Formula:

    C30H52O6

  • Chemical Name:

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

  • Synonyms:

    24-MCPA;24-methylcholestane-3,5,6,22,24-pentol 6-acetate;96736-31-1;6beta-acetoxy-24-methylcholestan-3beta,5alpha,22R,24-tetrol;24-Mcpa;24-Methylcholestane-3,5,6,22,24-pentol 6-acetate;DTXSID20914337;CHEBI:176867;LMST01031065;[(3S,5R,6R,8S,9S,10R,13S,14S,17R)-17-[(2S,3R)-3,5-dihydroxy-5,6-dimethylheptan-2-yl]-3,5-dihydroxy-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-yl] acetate;3,5,22,24-Tetrahydroxyergostan-6-yl acetate

Description

6beta-acetoxy-24-methylcholestan-3beta,5alpha,22R,24-tetrol is a bile acid.

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

508.7 g/mol

508.37638937 g/mol

Characteristics

107 Ų

Drug Information

24-MCPA

[(3S,5R,6R,8S,9S,10R,13S,14S,17R)-17-[(2S,3R)-3,5-dihydroxy-5,6-dimethylheptan-2-yl]-3,5-dihydroxy-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-yl] acetate Use and Manufacturing

Lipids -> Sterol Lipids [ST] -> Sterols [ST01] -> Ergosterols and C24-methyl derivatives [ST0103]

Computed Properties

Molecular Weight:508.7
XLogP3:5.2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:508.37638937
Monoisotopic Mass:508.37638937
Topological Polar Surface Area:107
Heavy Atom Count:36
Complexity:830
Defined Atom Stereocenter Count:11
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

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