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Home > Encyclopedia > methyl (4R)-4-[(3R,7R,8S,9S,10R,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate

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

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

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

structure
  • CAS No:

    66471-09-8

  • Formula:

    C25H40O4

  • Chemical Name:

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

  • Synonyms:

    methyl 3 alpha,7 alpha-dihydroxychol-4-en-24-oate;methyl 3,7-dihydroxychol-4-en-24-oate;Methyl 3,7-dihydroxychol-4-en-24-oate;66471-09-8;Methyl 3alpha,7alpha-dihydroxychol-4-en-24-oate;DTXSID80985109;Chol-4-en-24-oic acid, 3,7-dihydroxy-, methyl ester, (3alpha,7alpha)-;methyl (4R)-4-[(3R,7R,8S,9S,10R,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate

methyl (4R)-4-[(3R,7R,8S,9S,10R,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate Basic Attributes

404.6 g/mol

404.29265975 g/mol

Characteristics

66.8 Ų

Drug Information

methyl 3 alpha,7 alpha-dihydroxychol-4-en-24-oate

Computed Properties

Molecular Weight:404.6
XLogP3:4.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:404.29265975
Monoisotopic Mass:404.29265975
Topological Polar Surface Area:66.8
Heavy Atom Count:29
Complexity:672
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of methyl (4R)-4-[(3R,7R,8S,9S,10R,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate

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